C764-0527 Screening compound: 2-[(3-methyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide

C764-0527 Screening compound: 2-[(3-methyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide
C764-0527 Screening compound: 2-[(3-methyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0527
2-[(3-methyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide

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

C764-0527

Molecular Formula

C19H15N3O3S (C19 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)C(SCC(Nc2ccccc2)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C19H15N3O3S/c1-22-18(24)17-16(13-9-5-6-10-14(13)25-17)21-19(22)26-11-15(23)20-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,23)

InChI Key

ZBRILSHVPUVCCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

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

3.194

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.44

Polar Surface Area

54.853

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C764-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0527?
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What is the minimum amount of C764-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0527
  • 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 C764-0527 available by request