C764-0184 Screening compound: N~1~-(3,4-dimethylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0184 Screening compound: N~1~-(3,4-dimethylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0184 Screening compound: N~1~-(3,4-dimethylphenyl)-2-{[3-(4-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 C764-0184
N~1~-(3,4-dimethylphenyl)-2-{[3-(4-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

C764-0184

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-2-{[5-(4-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(cc1)ccc1N(C1=O)C(SCC(Nc2cc(C)c(C)cc2)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C27H23N3O3S/c1-16-8-12-20(13-9-16)30-26(32)25-24(21-6-4-5-7-22(21)33-25)29-27(30)34-15-23(31)28-19-11-10-17(2)18(3)14-19/h4-14H,15H2,1-3H3,(H,28,31)

InChI Key

JCYSMOXWYMXUBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404877

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.173

Distribution Coefficient, logD

6.173

Water Solubility, LogSw

-5.59

Polar Surface Area

54.204

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C764-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C764-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0184
  • 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 C764-0184 available by request