C764-0558 Screening compound: 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide

C764-0558 Screening compound: 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide
C764-0558 Screening compound: 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0558
2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)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

C764-0558

Molecular Formula

C23H22FN3O4S (C23 H22 FN3 O4 S)

Compound Name

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

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-(4-fluorophenyl)acetamide

SMILES

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

InChI

InChI=1S/C23H22FN3O4S/c1-2-30-13-5-12-27-22(29)21-20(17-6-3-4-7-18(17)31-21)26-23(27)32-14-19(28)25-16-10-8-15(24)9-11-16/h3-4,6-11H,2,5,12-14H2,1H3,(H,25,28)

InChI Key

VCCYJIAMEPWPRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

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

4.163

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.01

Polar Surface Area

63.043

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C764-0558 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C764-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0558?
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What is the minimum amount of C764-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0558
  • 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 C764-0558 available by request