D417-0105 Screening compound: 2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0105 Screening compound: 2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0105 Screening compound: 2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D417-0105
2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-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

D417-0105

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

2-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[3-(1H-imidazol-1-yl)propyl]-67-dimethyl-1-[4-(propan-2-yl)phenyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)c1ccc(C(C2=C3Oc(cc(C)c(C)c4)c4C2=O)N(CCCn2cncc2)C3=O)cc1

InChI

InChI=1S/C28H29N3O3/c1-17(2)20-6-8-21(9-7-20)25-24-26(32)22-14-18(3)19(4)15-23(22)34-27(24)28(33)31(25)12-5-11-30-13-10-29-16-30/h6-10,13-17,25H,5,11-12H2,1-4H3/t25-/m1/s1

InChI Key

VFGKBSYHCJLCKV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD12916958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

4.928

Water Solubility, LogSw

-4.90

Polar Surface Area

49.512

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

D417-0105 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D417-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0105?
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What is the minimum amount of D417-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0105
  • 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 D417-0105 available by request