C764-0567 Screening compound: N~1~-(2-chlorophenyl)-2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0567 Screening compound: N~1~-(2-chlorophenyl)-2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0567 Screening compound: N~1~-(2-chlorophenyl)-2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0567
N~1~-(2-chlorophenyl)-2-{[3-(3-ethoxypropyl)-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

C764-0567

Molecular Formula

C23H22ClN3O4S (C23 H22 ClN3 O4 S)

Compound Name

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

IUPAC name

N-(2-chlorophenyl)-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}acetamide

SMILES

CCOCCCN(C1=O)C(SCC(Nc(cccc2)c2Cl)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C23H22ClN3O4S/c1-2-30-13-7-12-27-22(29)21-20(15-8-3-6-11-18(15)31-21)26-23(27)32-14-19(28)25-17-10-5-4-9-16(17)24/h3-6,8-11H,2,7,12-14H2,1H3,(H,25,28)

InChI Key

IBKMHVRMCTUITG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.96

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

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.22

Polar Surface Area

62.345

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C764-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0567?
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What is the minimum amount of C764-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0567
  • 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 C764-0567 available by request