C200-9587 Screening compound: 6-benzyl-2-methyl-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

C200-9587 Screening compound: 6-benzyl-2-methyl-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
C200-9587 Screening compound: 6-benzyl-2-methyl-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9587
6-benzyl-2-methyl-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-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

C200-9587

Molecular Formula

C13H12N4OS (C13 H12 N4 OS)

Compound Name

6-benzyl-2-methyl-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

6-benzyl-2-methyl-5-sulfanylidene-2H4H5H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

Cn(cc1NC(N2Cc3ccccc3)=S)nc1C2=O

InChI

InChI=1S/C13H12N4OS/c1-16-8-10-11(15-16)12(18)17(13(19)14-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,19)

InChI Key

UPZQUDJINHNQFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.566

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.20

Polar Surface Area

42.764

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C200-9587 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 C200-9587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9587?
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What is the minimum amount of C200-9587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9587
  • 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 C200-9587 available by request