C200-8959 Screening compound: 3-cyclopentyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

C200-8959 Screening compound: 3-cyclopentyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
C200-8959 Screening compound: 3-cyclopentyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8959
3-cyclopentyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

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

C200-8959

Molecular Formula

C24H20N4O3S (C24 H20 N4 O3 S)

Compound Name

3-cyclopentyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-cyclopentyl-4-{[(3-phenyl-124-oxadiazol-5-yl)methyl]sulfanyl}-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

O=C1N(C2CCCC2)C(SCc2nc(-c3ccccc3)no2)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C24H20N4O3S/c29-23-21-20(17-12-6-7-13-18(17)30-21)26-24(28(23)16-10-4-5-11-16)32-14-19-25-22(27-31-19)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2

InChI Key

AWPZUOJCGXVRNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.728

Water Solubility, LogSw

-6.12

Polar Surface Area

62.597

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C200-8959 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-8959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8959?
Check Price and Availability of C200-8959, 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 C200-8959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8959
  • 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 C200-8959 available by request