C795-0416 Screening compound: 5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid

C795-0416 Screening compound: 5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid
C795-0416 Screening compound: 5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0416
5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid

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

C795-0416

Molecular Formula

C23H22N4O2 (C23 H22 N4 O2)

Compound Name

5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid

IUPAC name

5-[2-({[(4-methylphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-1-phenyl-1H-pyrazole-4-carboxylic acid

SMILES

Cc1ccc(CNCc2cccn2-c(n(-c2ccccc2)nc2)c2C(O)=O)cc1

InChI

InChI=1S/C23H22N4O2/c1-17-9-11-18(12-10-17)14-24-15-20-8-5-13-26(20)22-21(23(28)29)16-25-27(22)19-6-3-2-4-7-19/h2-13,16,24H,14-15H2,1H3,(H,28,29)

InChI Key

MRSJFZOOMYMHDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

-0.445

Water Solubility, LogSw

-4.10

Polar Surface Area

55.813

Acid Dissociation Constant (pKa)

2.52

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C795-0416 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0416?
Check Price and Availability of C795-0416, 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 C795-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0416
  • 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 C795-0416 available by request