C764-0149 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0149 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0149 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0149
N~1~-(3-chloro-4-fluorophenyl)-2-{[3-(2-methylphenyl)-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

C764-0149

Molecular Formula

C25H17ClFN3O3S (C25 H17 ClFN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(C1=O)C(SCC(Nc(cc2)cc(Cl)c2F)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C25H17ClFN3O3S/c1-14-6-2-4-8-19(14)30-24(32)23-22(16-7-3-5-9-20(16)33-23)29-25(30)34-13-21(31)28-15-10-11-18(27)17(26)12-15/h2-12H,13H2,1H3,(H,28,31)

InChI Key

CFZDFHJSQCPVTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

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

5.921

Distribution Coefficient, logD

5.917

Water Solubility, LogSw

-6.07

Polar Surface Area

53.903

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C764-0149 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C764-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0149?
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What is the minimum amount of C764-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0149
  • 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 C764-0149 available by request