C200-9589 Screening compound: 2-ethyl-6-(2-methylpropyl)-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

C200-9589 Screening compound: 2-ethyl-6-(2-methylpropyl)-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
C200-9589 Screening compound: 2-ethyl-6-(2-methylpropyl)-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9589
2-ethyl-6-(2-methylpropyl)-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

C200-9589

Molecular Formula

C11H16N4OS (C11 H16 N4 OS)

Compound Name

2-ethyl-6-(2-methylpropyl)-5-sulfanylidene-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

2-ethyl-6-(2-methylpropyl)-5-sulfanylidene-2H4H5H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CCn(cc1NC(N2CC(C)C)=S)nc1C2=O

InChI

InChI=1S/C11H16N4OS/c1-4-14-6-8-9(13-14)10(16)15(5-7(2)3)11(17)12-8/h6-7H,4-5H2,1-3H3,(H,12,17)

InChI Key

MJDAWPGRNJVWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.613

Distribution Coefficient, logD

1.583

Water Solubility, LogSw

-2.41

Polar Surface Area

42.729

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

C200-9589 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 C200-9589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9589?
Check Price and Availability of C200-9589, 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 C200-9589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9589
  • 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 C200-9589 available by request