C160-0038 Screening compound: 2-[4-(butan-2-yl)phenyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

C160-0038 Screening compound: 2-[4-(butan-2-yl)phenyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione
C160-0038 Screening compound: 2-[4-(butan-2-yl)phenyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C160-0038
2-[4-(butan-2-yl)phenyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-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

C160-0038

Molecular Formula

C22H20N2O2 (C22 H20 N2 O2)

Compound Name

2-[4-(butan-2-yl)phenyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

IUPAC name

2-[4-(butan-2-yl)phenyl]-4-methyl-1H2H3H-pyrrolo[34-c]quinoline-13-dione

SMILES

CCC(C)c(cc1)ccc1N(C(c1c2c3ccccc3nc1C)=O)C2=O

InChI

InChI=1S/C22H20N2O2/c1-4-13(2)15-9-11-16(12-10-15)24-21(25)19-14(3)23-18-8-6-5-7-17(18)20(19)22(24)26/h5-13H,4H2,1-3H3/t13-/m0/s1

InChI Key

VCNWDRQCPMITNK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03829230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.48

Polar Surface Area

37.787

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C160-0038 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C160-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C160-0038?
Check Price and Availability of C160-0038, 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 C160-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C160-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C160-0038
  • 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 C160-0038 available by request