C909-0013 Screening compound: N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide

C909-0013 Screening compound: N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide
C909-0013 Screening compound: N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0013
N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide

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

C909-0013

Molecular Formula

C21H18ClFN4O3 (C21 H18 ClFN4 O3)

Compound Name

N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}ethanediamide

IUPAC name

N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}ethanediamide

SMILES

O=C(C(Nc(cc1)cc(Cl)c1F)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C21H18ClFN4O3/c22-15-11-13(5-7-16(15)23)25-20(29)19(28)24-12-6-8-17-14(10-12)21(30)27-9-3-1-2-4-18(27)26-17/h5-8,10-11H,1-4,9H2,(H,24,28)(H,25,29)

InChI Key

MYDIBXZNLQNETL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-3.73

Polar Surface Area

73.174

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C909-0013 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C909-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0013?
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What is the minimum amount of C909-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0013
  • 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 C909-0013 available by request