K643-0365 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

K643-0365 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
K643-0365 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K643-0365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)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

K643-0365

Molecular Formula

C22H16F3N5O4S (C22 H16 F3 N5 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl}sulfanyl)acetamide

SMILES

O=C(CSC(N1c2cc(C(F)(F)F)ccc2)=Nc([nH]nc2)c2C1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H16F3N5O4S/c23-22(24,25)12-2-1-3-14(8-12)30-20(32)15-10-26-29-19(15)28-21(30)35-11-18(31)27-13-4-5-16-17(9-13)34-7-6-33-16/h1-5,8-10H,6-7,11H2,(H,26,29)(H,27,31)

InChI Key

JVQOGZKYJOYFKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-3.04

Polar Surface Area

88.399

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K643-0365 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K643-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K643-0365?
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What is the minimum amount of K643-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K643-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K643-0365
  • 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 K643-0365 available by request