C764-0552 Screening compound: 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenylacetamide

C764-0552 Screening compound: 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenylacetamide
C764-0552 Screening compound: 2-{[3-(3-ethoxypropyl)-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 C764-0552
2-{[3-(3-ethoxypropyl)-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

C764-0552

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-2-29-14-8-13-26-22(28)21-20(17-11-6-7-12-18(17)30-21)25-23(26)31-15-19(27)24-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,24,27)

InChI Key

YRDAFNRFVUWJHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-3.85

Polar Surface Area

63.043

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C764-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0552?
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What is the minimum amount of C764-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0552
  • 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 C764-0552 available by request