C535-1002 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-methylpiperidine-1-carbonyl)piperidine

C535-1002 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-methylpiperidine-1-carbonyl)piperidine
C535-1002 Screening compound: 1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-methylpiperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C535-1002
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-methylpiperidine-1-carbonyl)piperidine

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

C535-1002

Molecular Formula

C26H32ClN5O (C26 H32 ClN5 O)

Compound Name

1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-methylpiperidine-1-carbonyl)piperidine

IUPAC name

1-[3-(4-chlorophenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]-4-(2-methylpiperidine-1-carbonyl)piperidine

SMILES

CC(CCCC1)N1C(C(CC1)CCN1c(n1nc2C)cc(C)nc1c2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H32ClN5O/c1-17-16-23(30-14-11-21(12-15-30)26(33)31-13-5-4-6-18(31)2)32-25(28-17)24(19(3)29-32)20-7-9-22(27)10-8-20/h7-10,16,18,21H,4-6,11-15H2,1-3H3/t18-/m0/s1

InChI Key

VXQXUQOSFQHPAY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14768675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-5.23

Polar Surface Area

38.790

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C535-1002 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C535-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C535-1002?
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What is the minimum amount of C535-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C535-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C535-1002
  • 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 C535-1002 available by request