C764-0338 Screening compound: 2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2,3-dimethylphenyl)acetamide

C764-0338 Screening compound: 2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2,3-dimethylphenyl)acetamide
C764-0338 Screening compound: 2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0338
2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2,3-dimethylphenyl)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

C764-0338

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

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

IUPAC name

2-({5-benzyl-6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)-N-(23-dimethylphenyl)acetamide

SMILES

Cc1cccc(NC(CSC(N(Cc2ccccc2)C2=O)=Nc3c2oc2c3cccc2)=O)c1C

InChI

InChI=1S/C27H23N3O3S/c1-17-9-8-13-21(18(17)2)28-23(31)16-34-27-29-24-20-12-6-7-14-22(20)33-25(24)26(32)30(27)15-19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,28,31)

InChI Key

QLMNZOOUGHLSPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.869

Distribution Coefficient, logD

5.869

Water Solubility, LogSw

-5.64

Polar Surface Area

54.118

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C764-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C764-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0338
  • 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 C764-0338 available by request