7913-0560 Screening compound: 3-chloro-N-[7-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

7913-0560 Screening compound: 3-chloro-N-[7-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
7913-0560 Screening compound: 3-chloro-N-[7-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0560
3-chloro-N-[7-(4-fluorophenyl)-5-oxo-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

7913-0560

Molecular Formula

C21H15ClFN3O2 (C21 H15 ClFN3 O2)

Compound Name

3-chloro-N-[7-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

IUPAC name

3-chloro-N-[7-(4-fluorophenyl)-5-oxo-5678-tetrahydroquinazolin-2-yl]benzamide

SMILES

O=C(c1cccc(Cl)c1)Nc(nc1)nc(CC(C2)c(cc3)ccc3F)c1C2=O

InChI

InChI=1S/C21H15ClFN3O2/c22-15-3-1-2-13(8-15)20(28)26-21-24-11-17-18(25-21)9-14(10-19(17)27)12-4-6-16(23)7-5-12/h1-8,11,14H,9-10H2,(H,24,25,26,28)/t14-/m1/s1

InChI Key

YFGWKYSECXMQHX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04168699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

2.375

Water Solubility, LogSw

-4.70

Polar Surface Area

57.954

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

7913-0560 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 7913-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0560?
Check Price and Availability of 7913-0560, 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 7913-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0560
  • 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 7913-0560 available by request