K898-1189 Screening compound: 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide

K898-1189 Screening compound: 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide
K898-1189 Screening compound: 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-1189
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide

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

K898-1189

Molecular Formula

C20H23ClN6OS (C20 H23 ClN6 OS)

Compound Name

2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

Cc1n[nH]c(N=C(N2c3cccc(Cl)c3)SCC(NC3CCCCC3)=O)c1C2=N

InChI

InChI=1S/C20H23ClN6OS/c1-12-17-18(22)27(15-9-5-6-13(21)10-15)20(24-19(17)26-25-12)29-11-16(28)23-14-7-3-2-4-8-14/h5-6,9-10,14,22H,2-4,7-8,11H2,1H3,(H,23,28)(H,25,26)

InChI Key

QPBFDJADQOULCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

-0.712

Water Solubility, LogSw

-4.11

Polar Surface Area

76.965

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K898-1189 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K898-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-1189?
Check Price and Availability of K898-1189, 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 K898-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-1189
  • 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 K898-1189 available by request