C879-2228 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

C879-2228 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
C879-2228 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-2228
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(2-methylphenyl)ethyl]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

C879-2228

Molecular Formula

C24H27ClN2O2 (C24 H27 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCCc2c(C)cccc2)c(C(O)=O)c(C)n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C24H27ClN2O2/c1-16-6-4-5-7-20(16)12-13-26-14-22-17(2)27(18(3)23(22)24(28)29)15-19-8-10-21(25)11-9-19/h4-11,26H,12-15H2,1-3H3,(H,28,29)

InChI Key

UUHIURORZQFWST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.94

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

4.988

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.86

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

29.20

References: we are preparing a list of scientific research reports with C879-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-2228?
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What is the minimum amount of C879-2228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-2228
  • 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 C879-2228 available by request