C764-0426 Screening compound: 2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0426 Screening compound: 2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0426 Screening compound: 2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0426
2-{[3-(2-methoxybenzyl)-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

C764-0426

Molecular Formula

C20H17N3O4S (C20 H17 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CN(C2=O)C(SCC(N)=O)=Nc3c2oc2c3cccc2)cccc1

InChI

InChI=1S/C20H17N3O4S/c1-26-14-8-4-2-6-12(14)10-23-19(25)18-17(22-20(23)28-11-16(21)24)13-7-3-5-9-15(13)27-18/h2-9H,10-11H2,1H3,(H2,21,24)

InChI Key

NRBVCFYWBWJQBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

3.029

Water Solubility, LogSw

-3.22

Polar Surface Area

72.956

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C764-0426 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C764-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0426?
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What is the minimum amount of C764-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0426
  • 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 C764-0426 available by request