C879-0635 Screening compound: 2,5-dimethyl-4-{[(2-methylcyclohexyl)amino]methyl}-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

C879-0635 Screening compound: 2,5-dimethyl-4-{[(2-methylcyclohexyl)amino]methyl}-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
C879-0635 Screening compound: 2,5-dimethyl-4-{[(2-methylcyclohexyl)amino]methyl}-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-0635
2,5-dimethyl-4-{[(2-methylcyclohexyl)amino]methyl}-1-[(3-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

C879-0635

Molecular Formula

C23H32N2O2 (C23 H32 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)C1NCc1c(C)n(Cc2cc(C)ccc2)c(C)c1C(O)=O

InChI

InChI=1S/C23H32N2O2/c1-15-8-7-10-19(12-15)14-25-17(3)20(22(18(25)4)23(26)27)13-24-21-11-6-5-9-16(21)2/h7-8,10,12,16,21,24H,5-6,9,11,13-14H2,1-4H3,(H,26,27)

InChI Key

MOWFTTJDYJCJCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.55

Polar Surface Area

42.016

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.20

C879-0635 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C879-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-0635?
Check Price and Availability of C879-0635, 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 C879-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-0635
  • 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 C879-0635 available by request