C803-0002 Screening compound: 2-chloro-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}pyridine-3-carboxamide

C803-0002 Screening compound: 2-chloro-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}pyridine-3-carboxamide
C803-0002 Screening compound: 2-chloro-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0002
2-chloro-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}pyridine-3-carboxamide

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

C803-0002

Molecular Formula

C18H15ClN4O2 (C18 H15 ClN4 O2)

Compound Name

2-chloro-N-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}pyridine-3-carboxamide

IUPAC name

2-chloro-N-{11-oxo-6H7H8H9H11H-pyrido[21-b]quinazolin-2-yl}pyridine-3-carboxamide

SMILES

O=C(c1cccnc1Cl)Nc(cc1)cc2c1N=C(CCCC1)N1C2=O

InChI

InChI=1S/C18H15ClN4O2/c19-16-12(4-3-8-20-16)17(24)21-11-6-7-14-13(10-11)18(25)23-9-2-1-5-15(23)22-14/h3-4,6-8,10H,1-2,5,9H2,(H,21,24)

InChI Key

FATWFDKDTSYLGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.850

Water Solubility, LogSw

-3.05

Polar Surface Area

59.165

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C803-0002 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C803-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0002?
Check Price and Availability of C803-0002, 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 C803-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0002
  • 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 C803-0002 available by request