C764-0490 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3-methoxyphenyl)acetamide

C764-0490 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3-methoxyphenyl)acetamide
C764-0490 Screening compound: 2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0490
2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3-methoxyphenyl)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

C764-0490

Molecular Formula

C22H21N3O5S (C22 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(C1=O)C(SCC(Nc2cc(OC)ccc2)=O)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C22H21N3O5S/c1-28-11-10-25-21(27)20-19(16-8-3-4-9-17(16)30-20)24-22(25)31-13-18(26)23-14-6-5-7-15(12-14)29-2/h3-9,12H,10-11,13H2,1-2H3,(H,23,26)

InChI Key

VSQTUXJIRXYBMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.90

Polar Surface Area

70.952

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C764-0490 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C764-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0490?
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What is the minimum amount of C764-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0490
  • 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 C764-0490 available by request