C764-0533 Screening compound: N~1~-(4-fluorophenyl)-2-[(3-methyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

C764-0533 Screening compound: N~1~-(4-fluorophenyl)-2-[(3-methyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
C764-0533 Screening compound: N~1~-(4-fluorophenyl)-2-[(3-methyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0533
N~1~-(4-fluorophenyl)-2-[(3-methyl-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

C764-0533

Molecular Formula

C19H14FN3O3S (C19 H14 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)C(SCC(Nc(cc2)ccc2F)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C19H14FN3O3S/c1-23-18(25)17-16(13-4-2-3-5-14(13)26-17)22-19(23)27-10-15(24)21-12-8-6-11(20)7-9-12/h2-9H,10H2,1H3,(H,21,24)

InChI Key

SDVOBQUONCSGQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.84

Polar Surface Area

54.853

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C764-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0533?
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What is the minimum amount of C764-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0533
  • 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 C764-0533 available by request