C200-9009 Screening compound: 3-cyclopentyl-2-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

C200-9009 Screening compound: 3-cyclopentyl-2-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
C200-9009 Screening compound: 3-cyclopentyl-2-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9009
3-cyclopentyl-2-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-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

C200-9009

Molecular Formula

C27H25N3O3S (C27 H25 N3 O3 S)

Compound Name

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

IUPAC name

5-cyclopentyl-4-({[5-methyl-2-(3-methylphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1c(CSC(N(C2CCCC2)C2=O)=Nc3c2oc2c3cccc2)nc(-c2cc(C)ccc2)o1

InChI

InChI=1S/C27H25N3O3S/c1-16-8-7-9-18(14-16)25-28-21(17(2)32-25)15-34-27-29-23-20-12-5-6-13-22(20)33-24(23)26(31)30(27)19-10-3-4-11-19/h5-9,12-14,19H,3-4,10-11,15H2,1-2H3

InChI Key

RMUKPVJGMHFODB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.209

Distribution Coefficient, logD

6.209

Water Solubility, LogSw

-5.66

Polar Surface Area

49.376

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C200-9009 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-9009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9009?
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What is the minimum amount of C200-9009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9009
  • 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 C200-9009 available by request