C202-3774 Screening compound: 4-{3-[(3,4-dimethylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid

C202-3774 Screening compound: 4-{3-[(3,4-dimethylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid
C202-3774 Screening compound: 4-{3-[(3,4-dimethylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3774
4-{3-[(3,4-dimethylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid

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

C202-3774

Molecular Formula

C26H24N4O4 (C26 H24 N4 O4)

Compound Name

4-{3-[(3,4-dimethylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid

IUPAC name

4-{3-[(34-dimethylphenyl)carbamoyl]-8-oxo-4H5H6H7H8H9H-pyrazolo[32-b]quinazolin-9-yl}benzoic acid

SMILES

Cc(cc1)c(C)cc1NC(c1c(NC(CCC2)=C(C3c(cc4)ccc4C(O)=O)C2=O)n3nc1)=O

InChI

InChI=1S/C26H24N4O4/c1-14-6-11-18(12-15(14)2)28-25(32)19-13-27-30-23(16-7-9-17(10-8-16)26(33)34)22-20(29-24(19)30)4-3-5-21(22)31/h6-13,23,29H,3-5H2,1-2H3,(H,28,32)(H,33,34)/t23-/m0/s1

InChI Key

DLWAHRKMLJRQEE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18175547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-4.20

Polar Surface Area

89.230

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C202-3774 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3774?
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What is the minimum amount of C202-3774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3774
  • 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 C202-3774 available by request