K898-0339 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

K898-0339 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
K898-0339 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0339
2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

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

K898-0339

Molecular Formula

C22H25BrN6OS (C22 H25 BrN6 OS)

Compound Name

2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

IUPAC name

2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

SMILES

Cc1n[nH]c(N=C(N2c(cc3)ccc3Br)SCC(NCCC3=CCCCC3)=O)c1C2=N

InChI

InChI=1S/C22H25BrN6OS/c1-14-19-20(24)29(17-9-7-16(23)8-10-17)22(26-21(19)28-27-14)31-13-18(30)25-12-11-15-5-3-2-4-6-15/h5,7-10,24H,2-4,6,11-13H2,1H3,(H,25,30)(H,27,28)

InChI Key

QHNCYODVOYWTNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

-0.865

Water Solubility, LogSw

-3.82

Polar Surface Area

77.274

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K898-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0339?
Check Price and Availability of K898-0339, 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 K898-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0339
  • 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 K898-0339 available by request