C764-0312 Screening compound: N~1~-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0312 Screening compound: N~1~-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0312 Screening compound: N~1~-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0312
N~1~-(2,4-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-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

C764-0312

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-{[5-(4-ethoxyphenyl)-6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1N(C1=O)C(SCC(Nc2c(C)cc(C)cc2)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C28H25N3O4S/c1-4-34-20-12-10-19(11-13-20)31-27(33)26-25(21-7-5-6-8-23(21)35-26)30-28(31)36-16-24(32)29-22-14-9-17(2)15-18(22)3/h5-15H,4,16H2,1-3H3,(H,29,32)

InChI Key

ZWQFIYDGWHZPPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-5.55

Polar Surface Area

60.630

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C764-0312 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 C764-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0312?
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What is the minimum amount of C764-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0312
  • 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 C764-0312 available by request