C803-0034 Screening compound: (2E)-3-(2-chlorophenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide

C803-0034 Screening compound: (2E)-3-(2-chlorophenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide
C803-0034 Screening compound: (2E)-3-(2-chlorophenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0034
(2E)-3-(2-chlorophenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide

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

C803-0034

Molecular Formula

C21H18ClN3O2 (C21 H18 ClN3 O2)

Compound Name

(2E)-3-(2-chlorophenyl)-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}prop-2-enamide

IUPAC name

(2E)-3-(2-chlorophenyl)-N-{11-oxo-6H7H8H9H11H-pyrido[21-b]quinazolin-2-yl}prop-2-enamide

SMILES

O=C(/C=C/c(cccc1)c1Cl)Nc(cc1)cc2c1N=C(CCCC1)N1C2=O

InChI

InChI=1S/C21H18ClN3O2/c22-17-6-2-1-5-14(17)8-11-20(26)23-15-9-10-18-16(13-15)21(27)25-12-4-3-7-19(25)24-18/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,23,26)

InChI Key

PVJJDKIZZBEVPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-4.06

Polar Surface Area

49.267

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C803-0034 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C803-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0034?
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What is the minimum amount of C803-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0034
  • 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 C803-0034 available by request