C764-0579 Screening compound: 2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)acetamide

C764-0579 Screening compound: 2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)acetamide
C764-0579 Screening compound: 2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0579
2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)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

C764-0579

Molecular Formula

C24H19N3O4S (C24 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(CSC(N(Cc1ccco1)C1=O)=Nc2c1oc1c2cccc1)=O

InChI

InChI=1S/C24H19N3O4S/c1-15-8-10-16(11-9-15)25-20(28)14-32-24-26-21-18-6-2-3-7-19(18)31-22(21)23(29)27(24)13-17-5-4-12-30-17/h2-12H,13-14H2,1H3,(H,25,28)

InChI Key

KELQRFVAAVZPQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-4.70

Polar Surface Area

62.565

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C764-0579 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C764-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0579?
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What is the minimum amount of C764-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0579
  • 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 C764-0579 available by request