7913-0569 Screening compound: N-[7-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-3-methoxybenzamide

7913-0569 Screening compound: N-[7-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-3-methoxybenzamide
7913-0569 Screening compound: N-[7-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0569
N-[7-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-3-methoxybenzamide

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

7913-0569

Molecular Formula

C22H18ClN3O3 (C22 H18 ClN3 O3)

Compound Name

N-[7-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-3-methoxybenzamide

IUPAC name

N-[7-(4-chlorophenyl)-5-oxo-5678-tetrahydroquinazolin-2-yl]-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(nc2)nc(CC(C3)c(cc4)ccc4Cl)c2C3=O)=O)c1

InChI

InChI=1S/C22H18ClN3O3/c1-29-17-4-2-3-14(9-17)21(28)26-22-24-12-18-19(25-22)10-15(11-20(18)27)13-5-7-16(23)8-6-13/h2-9,12,15H,10-11H2,1H3,(H,24,25,26,28)/t15-/m0/s1

InChI Key

NUIBYKRQPNDZHX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04185877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-4.80

Polar Surface Area

65.498

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

7913-0569 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7913-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0569?
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What is the minimum amount of 7913-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0569
  • 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 7913-0569 available by request