C764-0216 Screening compound: N~1~-(4-methoxyphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0216 Screening compound: N~1~-(4-methoxyphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0216 Screening compound: N~1~-(4-methoxyphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0216
N~1~-(4-methoxyphenyl)-2-{[3-(3-methoxyphenyl)-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

C764-0216

Molecular Formula

C26H21N3O5S (C26 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CSC(N(c1cc(OC)ccc1)C1=O)=Nc2c1oc1c2cccc1)=O

InChI

InChI=1S/C26H21N3O5S/c1-32-18-12-10-16(11-13-18)27-22(30)15-35-26-28-23-20-8-3-4-9-21(20)34-24(23)25(31)29(26)17-6-5-7-19(14-17)33-2/h3-14H,15H2,1-2H3,(H,27,30)

InChI Key

VALXCIOFMAUVJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.909

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-4.92

Polar Surface Area

69.292

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C764-0216 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C764-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0216?
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What is the minimum amount of C764-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0216
  • 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 C764-0216 available by request