C429-0252 Screening compound: N-(2-chloro-4-methylphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide

C429-0252 Screening compound: N-(2-chloro-4-methylphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
C429-0252 Screening compound: N-(2-chloro-4-methylphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0252
N-(2-chloro-4-methylphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]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

C429-0252

Molecular Formula

C25H23Cl2N5OS (C25 H23 Cl2 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(N(CC1)CCC1c1nc2cc(-c(cc3)ccc3Cl)nn2c(O)c1)=S

InChI

InChI=1S/C25H23Cl2N5OS/c1-15-2-7-20(19(27)12-15)29-25(34)31-10-8-17(9-11-31)21-14-24(33)32-23(28-21)13-22(30-32)16-3-5-18(26)6-4-16/h2-7,12-14,17,33H,8-11H2,1H3,(H,29,34)

InChI Key

DBHFCGSJYYKDAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.46

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

6.609

Distribution Coefficient, logD

6.006

Water Solubility, LogSw

-5.98

Polar Surface Area

45.798

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C429-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0252?
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What is the minimum amount of C429-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0252
  • 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 C429-0252 available by request