C202-1879 Screening compound: 7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

C202-1879 Screening compound: 7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
C202-1879 Screening compound: 7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1879
7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

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

C202-1879

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

IUPAC name

77-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1H4H5H6H7H8H9H-pyrazolo[34-b]quinolin-5-one

SMILES

CC(C)(C1)CC(Nc2c(C3c4cccs4)c(-c(cc4)ccc4[N+]([O-])=O)n[nH]2)=C3C1=O

InChI

InChI=1S/C22H20N4O3S/c1-22(2)10-14-17(15(27)11-22)18(16-4-3-9-30-16)19-20(24-25-21(19)23-14)12-5-7-13(8-6-12)26(28)29/h3-9,18H,10-11H2,1-2H3,(H2,23,24,25)/t18-/m1/s1

InChI Key

VBUMRGFHBCPVID-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14730645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.33

Polar Surface Area

82.506

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C202-1879 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-1879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1879?
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What is the minimum amount of C202-1879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1879
  • 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 C202-1879 available by request