K898-1194 Screening compound: N-butyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethylacetamide

K898-1194 Screening compound: N-butyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethylacetamide
K898-1194 Screening compound: N-butyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-1194
N-butyl-2-{[5-(3-chlorophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethylacetamide

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

K898-1194

Molecular Formula

C20H25ClN6OS (C20 H25 ClN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC)C(CSC(N1c2cccc(Cl)c2)=Nc([nH]nc2C)c2C1=N)=O

InChI

InChI=1S/C20H25ClN6OS/c1-4-6-10-26(5-2)16(28)12-29-20-23-19-17(13(3)24-25-19)18(22)27(20)15-9-7-8-14(21)11-15/h7-9,11,22H,4-6,10,12H2,1-3H3,(H,24,25)

InChI Key

YJYZKNMADQSUNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

-0.467

Water Solubility, LogSw

-4.24

Polar Surface Area

68.698

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K898-1194 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K898-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-1194?
Check Price and Availability of K898-1194, 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 K898-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-1194
  • 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 K898-1194 available by request