C764-0082 Screening compound: N~1~-(3-fluorophenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0082 Screening compound: N~1~-(3-fluorophenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0082 Screening compound: N~1~-(3-fluorophenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0082
N~1~-(3-fluorophenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

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

C764-0082

Molecular Formula

C24H15F2N3O3S (C24 H15 F2 N3 O3 S)

Compound Name

N~1~-(3-fluorophenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-fluorophenyl)-2-{[5-(4-fluorophenyl)-6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl]sulfanyl}acetamide

SMILES

O=C(CSC(N(c(cc1)ccc1F)C1=O)=Nc2c1oc1c2cccc1)Nc1cc(F)ccc1

InChI

InChI=1S/C24H15F2N3O3S/c25-14-8-10-17(11-9-14)29-23(31)22-21(18-6-1-2-7-19(18)32-22)28-24(29)33-13-20(30)27-16-5-3-4-15(26)12-16/h1-12H,13H2,(H,27,30)

InChI Key

ZQIOIRPJSOETMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-5.13

Polar Surface Area

54.204

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

C764-0082 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C764-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0082?
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What is the minimum amount of C764-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0082
  • 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 C764-0082 available by request