K898-0347 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-N-ethylacetamide

K898-0347 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-N-ethylacetamide
K898-0347 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0347
2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-butyl-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

K898-0347

Molecular Formula

C20H25BrN6OS (C20 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-butyl-N-ethylacetamide

IUPAC name

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

SMILES

CCCCN(CC)C(CSC(N1c(cc2)ccc2Br)=Nc([nH]nc2C)c2C1=N)=O

InChI

InChI=1S/C20H25BrN6OS/c1-4-6-11-26(5-2)16(28)12-29-20-23-19-17(13(3)24-25-19)18(22)27(20)15-9-7-14(21)8-10-15/h7-10,22H,4-6,11-12H2,1-3H3,(H,24,25)

InChI Key

BGKGSUPPYNQWIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.43

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

3.719

Distribution Coefficient, logD

-0.550

Water Solubility, LogSw

-3.98

Polar Surface Area

68.698

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

11.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with K898-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0347?
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What is the minimum amount of K898-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0347
  • 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 K898-0347 available by request