C764-0096 Screening compound: N~1~-(4-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0096 Screening compound: N~1~-(4-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0096 Screening compound: N~1~-(4-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0096
N~1~-(4-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-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

C764-0096

Molecular Formula

C26H20FN3O4S (C26 H20 FN3 O4 S)

Compound Name

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

IUPAC name

N-(4-ethoxyphenyl)-2-{[5-(4-fluorophenyl)-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)ccc1NC(CSC(N(c(cc1)ccc1F)C1=O)=Nc2c1oc1c2cccc1)=O

InChI

InChI=1S/C26H20FN3O4S/c1-2-33-19-13-9-17(10-14-19)28-22(31)15-35-26-29-23-20-5-3-4-6-21(20)34-24(23)25(32)30(26)18-11-7-16(27)8-12-18/h3-14H,2,15H2,1H3,(H,28,31)

InChI Key

WLHJERDLDRUJAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

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

5.161

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-5.12

Polar Surface Area

61.328

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C764-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0096?
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What is the minimum amount of C764-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0096
  • 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 C764-0096 available by request