C879-2171 Screening compound: 1-[(3-chlorophenyl)methyl]-4-({[2-(2-methoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-2171 Screening compound: 1-[(3-chlorophenyl)methyl]-4-({[2-(2-methoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-2171 Screening compound: 1-[(3-chlorophenyl)methyl]-4-({[2-(2-methoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-2171
1-[(3-chlorophenyl)methyl]-4-({[2-(2-methoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-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

C879-2171

Molecular Formula

C24H27ClN2O3 (C24 H27 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCCc(cccc2)c2OC)c(C(O)=O)c(C)n1Cc1cccc(Cl)c1

InChI

InChI=1S/C24H27ClN2O3/c1-16-21(14-26-12-11-19-8-4-5-10-22(19)30-3)23(24(28)29)17(2)27(16)15-18-7-6-9-20(25)13-18/h4-10,13,26H,11-12,14-15H2,1-3H3,(H,28,29)

InChI Key

ADQRUZGUZGUBRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.52

Polar Surface Area

49.582

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C879-2171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-2171?
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What is the minimum amount of C879-2171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-2171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-2171
  • 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 C879-2171 available by request