C365-0331 Screening compound: 1-(3,4-dimethylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0331 Screening compound: 1-(3,4-dimethylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0331 Screening compound: 1-(3,4-dimethylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0331
1-(3,4-dimethylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

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

C365-0331

Molecular Formula

C21H17F3N4OS (C21 H17 F3 N4 OS)

Compound Name

1-(3,4-dimethylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

1-(34-dimethylphenyl)-6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc(cc1)c(C)cc1-n1ncc(C(N2)=O)c1N=C2SCc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C21H17F3N4OS/c1-12-3-8-16(9-13(12)2)28-18-17(10-25-28)19(29)27-20(26-18)30-11-14-4-6-15(7-5-14)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,27,29)

InChI Key

IDIJONJWEMIUCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-5.30

Polar Surface Area

48.452

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C365-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0331?
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What is the minimum amount of C365-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0331
  • 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 C365-0331 available by request