K898-0635 Screening compound: 1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one

K898-0635 Screening compound: 1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one
K898-0635 Screening compound: 1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0635
1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-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

K898-0635

Molecular Formula

C23H30N6OS (C23 H30 N6 OS)

Compound Name

1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one

IUPAC name

1-(35-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}ethan-1-one

SMILES

CCc(cc1)ccc1N1C(SCC(N2CC(C)CC(C)C2)=O)=Nc([nH]nc2C)c2C1=N

InChI

InChI=1S/C23H30N6OS/c1-5-17-6-8-18(9-7-17)29-21(24)20-16(4)26-27-22(20)25-23(29)31-13-19(30)28-11-14(2)10-15(3)12-28/h6-9,14-15,24H,5,10-13H2,1-4H3,(H,26,27)

InChI Key

PCDWDXNYCDCLKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.852

Distribution Coefficient, logD

-0.416

Water Solubility, LogSw

-4.08

Polar Surface Area

69.028

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

K898-0635 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 K898-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0635?
Check Price and Availability of K898-0635, 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 K898-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0635
  • 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 K898-0635 available by request