K898-0365 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-morpholino-1-butanone

K898-0365 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-morpholino-1-butanone
K898-0365 Screening compound: 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-morpholino-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K898-0365
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-morpholino-1-butanone

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

K898-0365

Molecular Formula

C20H23BrN6O2S (C20 H23 BrN6 O2 S)

Compound Name

2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-morpholino-1-butanone

IUPAC name

2-{[5-(4-bromophenyl)-4-imino-3-methyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one

SMILES

CCC(C(N1CCOCC1)=O)SC(N1c(cc2)ccc2Br)=Nc([nH]nc2C)c2C1=N

InChI

InChI=1S/C20H23BrN6O2S/c1-3-15(19(28)26-8-10-29-11-9-26)30-20-23-18-16(12(2)24-25-18)17(22)27(20)14-6-4-13(21)5-7-14/h4-7,15,22H,3,8-11H2,1-2H3,(H,24,25)/t15-/m0/s1

InChI Key

ZLYKOVMAIHSFMX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15111783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

-1.793

Water Solubility, LogSw

-3.12

Polar Surface Area

77.597

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with K898-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K898-0365?
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What is the minimum amount of K898-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K898-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K898-0365
  • 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 K898-0365 available by request