C764-0268 Screening compound: N~1~-(3-chlorophenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0268 Screening compound: N~1~-(3-chlorophenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0268 Screening compound: N~1~-(3-chlorophenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0268
N~1~-(3-chlorophenyl)-2-{[3-(3,5-dimethylphenyl)-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

C764-0268

Molecular Formula

C26H20ClN3O3S (C26 H20 ClN3 O3 S)

Compound Name

N~1~-(3-chlorophenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

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

SMILES

Cc1cc(N(C2=O)C(SCC(Nc3cccc(Cl)c3)=O)=Nc3c2oc2c3cccc2)cc(C)c1

InChI

InChI=1S/C26H20ClN3O3S/c1-15-10-16(2)12-19(11-15)30-25(32)24-23(20-8-3-4-9-21(20)33-24)29-26(30)34-14-22(31)28-18-7-5-6-17(27)13-18/h3-13H,14H2,1-2H3,(H,28,31)

InChI Key

VXPMIEAWJZNJCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.98

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

6.551

Distribution Coefficient, logD

6.551

Water Solubility, LogSw

-6.26

Polar Surface Area

54.204

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C764-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C764-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0268
  • 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 C764-0268 available by request