C535-0917 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-chloropyridin-3-yl)piperidine-4-carboxamide

C535-0917 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-chloropyridin-3-yl)piperidine-4-carboxamide
C535-0917 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-chloropyridin-3-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C535-0917
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-chloropyridin-3-yl)piperidine-4-carboxamide

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

C535-0917

Molecular Formula

C25H24Cl2N6O (C25 H24 Cl2 N6 O)

Compound Name

1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-chloropyridin-3-yl)piperidine-4-carboxamide

IUPAC name

1-[3-(4-chlorophenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]-N-(2-chloropyridin-3-yl)piperidine-4-carboxamide

SMILES

Cc1nn2c(N(CC3)CCC3C(Nc3cccnc3Cl)=O)cc(C)nc2c1-c(cc1)ccc1Cl

InChI

InChI=1S/C25H24Cl2N6O/c1-15-14-21(33-24(29-15)22(16(2)31-33)17-5-7-19(26)8-6-17)32-12-9-18(10-13-32)25(34)30-20-4-3-11-28-23(20)27/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,30,34)

InChI Key

KCFQTSYZUIFQQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-5.00

Polar Surface Area

54.936

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C535-0917 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C535-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C535-0917?
Check Price and Availability of C535-0917, 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 C535-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C535-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C535-0917
  • 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 C535-0917 available by request