7913-0541 Screening compound: 4-nitro-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide

7913-0541 Screening compound: 4-nitro-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
7913-0541 Screening compound: 4-nitro-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0541
4-nitro-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-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

7913-0541

Molecular Formula

C21H16N4O4 (C21 H16 N4 O4)

Compound Name

4-nitro-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide

IUPAC name

4-nitro-N-(5-oxo-7-phenyl-5678-tetrahydroquinazolin-2-yl)benzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(nc1)nc(CC(C2)c3ccccc3)c1C2=O)=O)=O

InChI

InChI=1S/C21H16N4O4/c26-19-11-15(13-4-2-1-3-5-13)10-18-17(19)12-22-21(23-18)24-20(27)14-6-8-16(9-7-14)25(28)29/h1-9,12,15H,10-11H2,(H,22,23,24,27)/t15-/m1/s1

InChI Key

IEVNNDSBKDDEAD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04193435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

2.318

Water Solubility, LogSw

-3.74

Polar Surface Area

91.336

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

7913-0541 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7913-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0541?
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What is the minimum amount of 7913-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0541
  • 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 7913-0541 available by request