C879-1817 Screening compound: 2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

C879-1817 Screening compound: 2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
C879-1817 Screening compound: 2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1817
2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-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

C879-1817

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

IUPAC name

25-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCCc2c(C)cccc2)c(C(O)=O)c(C)n1Cc1ccc(C)cc1

InChI

InChI=1S/C25H30N2O2/c1-17-9-11-21(12-10-17)16-27-19(3)23(24(20(27)4)25(28)29)15-26-14-13-22-8-6-5-7-18(22)2/h5-12,26H,13-16H2,1-4H3,(H,28,29)

InChI Key

NSEYIZUQDXPUBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.39

Polar Surface Area

41.951

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C879-1817 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C879-1817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1817?
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What is the minimum amount of C879-1817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1817
  • 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 C879-1817 available by request