C429-0254 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide

C429-0254 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
C429-0254 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0254
N-(3-chloro-4-fluorophenyl)-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

C429-0254

Molecular Formula

C24H20Cl2FN5OS (C24 H20 Cl2 FN5 OS)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[15-a]pyrimidin-5-yl]piperidine-1-carbothioamide

SMILES

Oc1cc(C(CC2)CCN2C(Nc(cc2)cc(Cl)c2F)=S)nc2cc(-c(cc3)ccc3Cl)nn12

InChI

InChI=1S/C24H20Cl2FN5OS/c25-16-3-1-14(2-4-16)21-12-22-29-20(13-23(33)32(22)30-21)15-7-9-31(10-8-15)24(34)28-17-5-6-19(27)18(26)11-17/h1-6,11-13,15,33H,7-10H2,(H,28,34)

InChI Key

KDCUZCHYZPUPLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.43

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

6.272

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.98

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

20.80

References: we are preparing a list of scientific research reports with C429-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0254?
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What is the minimum amount of C429-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0254
  • 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 C429-0254 available by request