C200-8956 Screening compound: 2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-3-(tetrahydro-2-furanylmethyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

C200-8956 Screening compound: 2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-3-(tetrahydro-2-furanylmethyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
C200-8956 Screening compound: 2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-3-(tetrahydro-2-furanylmethyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8956
2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-3-(tetrahydro-2-furanylmethyl)[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

C200-8956

Molecular Formula

C24H20N4O4S (C24 H20 N4 O4 S)

Compound Name

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

IUPAC name

5-[(oxolan-2-yl)methyl]-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(CC2OCCC2)C(SCc2nc(-c3ccccc3)no2)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C24H20N4O4S/c29-23-21-20(17-10-4-5-11-18(17)31-21)26-24(28(23)13-16-9-6-12-30-16)33-14-19-25-22(27-32-19)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2/t16-/m1/s1

InChI Key

NQBUFMXMIBBWGN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD16638930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.94

Polar Surface Area

71.664

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C200-8956 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-8956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8956?
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What is the minimum amount of C200-8956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8956
  • 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 C200-8956 available by request