C879-1510 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

C879-1510 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
C879-1510 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1510
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]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

C879-1510

Molecular Formula

C22H29ClN2O2 (C22 H29 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCC1NCc1c(C)n(Cc2cccc(Cl)c2)c(C)c1C(O)=O

InChI

InChI=1S/C22H29ClN2O2/c1-14-7-9-19(10-8-14)24-12-20-15(2)25(16(3)21(20)22(26)27)13-17-5-4-6-18(23)11-17/h4-6,11,14,19,24H,7-10,12-13H2,1-3H3,(H,26,27)

InChI Key

AXJSBVHOXDQLCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.94

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

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.63

Polar Surface Area

41.626

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C879-1510 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C879-1510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1510?
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What is the minimum amount of C879-1510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1510
  • 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 C879-1510 available by request