C764-0172 Screening compound: N~1~-(2-ethylphenyl)-2-{[3-(3-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0172 Screening compound: N~1~-(2-ethylphenyl)-2-{[3-(3-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0172 Screening compound: N~1~-(2-ethylphenyl)-2-{[3-(3-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 C764-0172
N~1~-(2-ethylphenyl)-2-{[3-(3-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

C764-0172

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CSC(N(c1cc(C)ccc1)C1=O)=Nc2c1oc1c2cccc1)=O

InChI

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

InChI Key

NSRUCRFNDGBMOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792400

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

5.761

Distribution Coefficient, logD

5.761

Water Solubility, LogSw

-5.66

Polar Surface Area

53.507

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C764-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0172?
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What is the minimum amount of C764-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0172
  • 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 C764-0172 available by request