C803-0291 Screening compound: 4-chloro-3-nitro-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide

C803-0291 Screening compound: 4-chloro-3-nitro-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide
C803-0291 Screening compound: 4-chloro-3-nitro-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0291
4-chloro-3-nitro-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide

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

C803-0291

Molecular Formula

C20H17ClN4O4 (C20 H17 ClN4 O4)

Compound Name

4-chloro-3-nitro-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide

IUPAC name

4-chloro-3-nitro-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}benzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc(cc2)cc3c2N=C(CCCCC2)N2C3=O)=O)c1Cl)=O

InChI

InChI=1S/C20H17ClN4O4/c21-15-7-5-12(10-17(15)25(28)29)19(26)22-13-6-8-16-14(11-13)20(27)24-9-3-1-2-4-18(24)23-16/h5-8,10-11H,1-4,9H2,(H,22,26)

InChI Key

SCKQCMBSYGCVOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.88

Polar Surface Area

82.892

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C803-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0291?
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What is the minimum amount of C803-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0291
  • 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 C803-0291 available by request