K643-0374 Screening compound: N-[(2-methoxyphenyl)methyl]-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide

K643-0374 Screening compound: N-[(2-methoxyphenyl)methyl]-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
K643-0374 Screening compound: N-[(2-methoxyphenyl)methyl]-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 K643-0374
N-[(2-methoxyphenyl)methyl]-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

K643-0374

Molecular Formula

C22H18F3N5O3S (C22 H18 F3 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(CSC(N2c3cc(C(F)(F)F)ccc3)=Nc([nH]nc3)c3C2=O)=O)cccc1

InChI

InChI=1S/C22H18F3N5O3S/c1-33-17-8-3-2-5-13(17)10-26-18(31)12-34-21-28-19-16(11-27-29-19)20(32)30(21)15-7-4-6-14(9-15)22(23,24)25/h2-9,11H,10,12H2,1H3,(H,26,31)(H,27,29)

InChI Key

QXUVMFRBRRTDIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.64

Polar Surface Area

81.528

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with K643-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K643-0374?
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What is the minimum amount of K643-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K643-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K643-0374
  • 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 K643-0374 available by request