4720-2068 Screening compound: 3a,8a-dihydroxy-3-phenyl-1H,2H,3H,3aH,8H,8aH-indeno[1,2-d]imidazole-2,8-dione

4720-2068 Screening compound: 3a,8a-dihydroxy-3-phenyl-1H,2H,3H,3aH,8H,8aH-indeno[1,2-d]imidazole-2,8-dione
4720-2068 Screening compound: 3a,8a-dihydroxy-3-phenyl-1H,2H,3H,3aH,8H,8aH-indeno[1,2-d]imidazole-2,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4720-2068
3a,8a-dihydroxy-3-phenyl-1H,2H,3H,3aH,8H,8aH-indeno[1,2-d]imidazole-2,8-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4720-2068

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

3a,8a-dihydroxy-3-phenyl-1H,2H,3H,3aH,8H,8aH-indeno[1,2-d]imidazole-2,8-dione

IUPAC name

3a8a-dihydroxy-3-phenyl-1H2H3H3aH8H8aH-indeno[12-d]imidazole-28-dione

SMILES

OC(C(c1c2cccc1)(N1c3ccccc3)O)(C2=O)NC1=O

InChI

InChI=1S/C16H12N2O4/c19-13-11-8-4-5-9-12(11)16(22)15(13,21)17-14(20)18(16)10-6-2-1-3-7-10/h1-9,21-22H,(H,17,20)

InChI Key

WSQGLYYNQDZURT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.449

Distribution Coefficient, logD

1.449

Water Solubility, LogSw

-2.27

Polar Surface Area

72.810

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

4720-2068 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Others
  • Proteases
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 4720-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4720-2068?
Check Price and Availability of 4720-2068, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4720-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4720-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4720-2068
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4720-2068 available by request