C429-0256 Screening compound: 4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide

C429-0256 Screening compound: 4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide
C429-0256 Screening compound: 4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0256
4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide

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

C429-0256

Molecular Formula

C26H26ClN5OS (C26 H26 ClN5 OS)

Compound Name

4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carbothioamide

IUPAC name

4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[15-a]pyrimidin-5-yl]-N-(34-dimethylphenyl)piperidine-1-carbothioamide

SMILES

Cc(cc1)c(C)cc1NC(N(CC1)CCC1c1nc2cc(-c(cc3)ccc3Cl)nn2c(O)c1)=S

InChI

InChI=1S/C26H26ClN5OS/c1-16-3-8-21(13-17(16)2)28-26(34)31-11-9-19(10-12-31)22-15-25(33)32-24(29-22)14-23(30-32)18-4-6-20(27)7-5-18/h3-8,13-15,19,33H,9-12H2,1-2H3,(H,28,34)

InChI Key

QVAPMNRSNVHXGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.529

Distribution Coefficient, logD

5.926

Water Solubility, LogSw

-6.32

Polar Surface Area

46.496

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with C429-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0256?
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What is the minimum amount of C429-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0256
  • 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 C429-0256 available by request