C764-0095 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C764-0095 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C764-0095 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C764-0095
N~1~-(2-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-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

C764-0095

Molecular Formula

C26H20FN3O4S (C26 H20 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(CSC(N(c(cc1)ccc1F)C1=O)=Nc2c1oc1c2cccc1)=O

InChI

InChI=1S/C26H20FN3O4S/c1-2-33-21-10-6-4-8-19(21)28-22(31)15-35-26-29-23-18-7-3-5-9-20(18)34-24(23)25(32)30(26)17-13-11-16(27)12-14-17/h3-14H,2,15H2,1H3,(H,28,31)

InChI Key

GRQMDVCOZNIZOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.75

Polar Surface Area

60.717

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C764-0095 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C764-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C764-0095?
Check Price and Availability of C764-0095, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C764-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C764-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C764-0095
  • 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 C764-0095 available by request