C429-0250 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide

C429-0250 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
C429-0250 Screening compound: N-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0250
N-(5-chloro-2-methoxyphenyl)-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

C429-0250

Molecular Formula

C25H23Cl2N5O2S (C25 H23 Cl2 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1NC(N(CC1)CCC1c1nc2cc(-c(cc3)ccc3Cl)nn2c(O)c1)=S

InChI

InChI=1S/C25H23Cl2N5O2S/c1-34-22-7-6-18(27)12-21(22)29-25(35)31-10-8-16(9-11-31)19-14-24(33)32-23(28-19)13-20(30-32)15-2-4-17(26)5-3-15/h2-7,12-14,16,33H,8-11H2,1H3,(H,29,35)

InChI Key

BFUPPCCLZAUPDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.138

Distribution Coefficient, logD

5.535

Water Solubility, LogSw

-6.06

Polar Surface Area

53.428

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C429-0250 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C429-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0250?
Check Price and Availability of C429-0250, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C429-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0250
  • 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 C429-0250 available by request