C764-0350 Screening compound: N~1~-benzyl-2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

C764-0350 Screening compound: N~1~-benzyl-2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
C764-0350 Screening compound: N~1~-benzyl-2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0350
N~1~-benzyl-2-[(3-benzyl-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

C764-0350

Molecular Formula

C26H21N3O3S (C26 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(Cc1ccccc1)C1=O)=Nc2c1oc1c2cccc1)NCc1ccccc1

InChI

InChI=1S/C26H21N3O3S/c30-22(27-15-18-9-3-1-4-10-18)17-33-26-28-23-20-13-7-8-14-21(20)32-24(23)25(31)29(26)16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,27,30)

InChI Key

JBIRUXGIQSUKDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-5.04

Polar Surface Area

56.138

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C764-0350 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C764-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0350?
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What is the minimum amount of C764-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0350
  • 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 C764-0350 available by request