C764-0452 Screening compound: 2-[(3-isopropyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide

C764-0452 Screening compound: 2-[(3-isopropyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenylacetamide
C764-0452 Screening compound: 2-[(3-isopropyl-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 C764-0452
2-[(3-isopropyl-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

C764-0452

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C1=O)C(SCC(Nc2ccccc2)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C21H19N3O3S/c1-13(2)24-20(26)19-18(15-10-6-7-11-16(15)27-19)23-21(24)28-12-17(25)22-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,22,25)

InChI Key

HBSBMXMOJNSISI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

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

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.18

Polar Surface Area

54.808

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C764-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0452?
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What is the minimum amount of C764-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0452
  • 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 C764-0452 available by request