C535-0963 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide

C535-0963 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide
C535-0963 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C535-0963
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(oxolan-2-yl)methyl]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

C535-0963

Molecular Formula

C25H30ClN5O2 (C25 H30 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn2c(N(CC3)CCC3C(NCC3OCCC3)=O)cc(C)nc2c1-c(cc1)ccc1Cl

InChI

InChI=1S/C25H30ClN5O2/c1-16-14-22(30-11-9-19(10-12-30)25(32)27-15-21-4-3-13-33-21)31-24(28-16)23(17(2)29-31)18-5-7-20(26)8-6-18/h5-8,14,19,21H,3-4,9-13,15H2,1-2H3,(H,27,32)/t21-/m1/s1

InChI Key

BIWSMKXPOMSPAH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14768652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

2.151

Water Solubility, LogSw

-4.55

Polar Surface Area

55.925

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

C535-0963 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C535-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C535-0963?
Check Price and Availability of C535-0963, 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 C535-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C535-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C535-0963
  • 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 C535-0963 available by request