C795-0516 Screening compound: N-(5-chloro-2-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

C795-0516 Screening compound: N-(5-chloro-2-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
C795-0516 Screening compound: N-(5-chloro-2-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0516
N-(5-chloro-2-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-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

C795-0516

Molecular Formula

C27H28ClN5O (C27 H28 ClN5 O)

Compound Name

N-(5-chloro-2-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(C1CCN(Cc2c(-n3cccc3)n(-c3ccccc3)nc2)CC1)=O

InChI

InChI=1S/C27H28ClN5O/c1-20-9-10-23(28)17-25(20)30-26(34)21-11-15-31(16-12-21)19-22-18-29-33(24-7-3-2-4-8-24)27(22)32-13-5-6-14-32/h2-10,13-14,17-18,21H,11-12,15-16,19H2,1H3,(H,30,34)

InChI Key

XKRFQAIUBKAOGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.011

Distribution Coefficient, logD

1.644

Water Solubility, LogSw

-4.97

Polar Surface Area

43.221

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C795-0516 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cancer
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0516?
Check Price and Availability of C795-0516, 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 C795-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0516
  • 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 C795-0516 available by request