C879-2189 Screening compound: 1-[(3-chlorophenyl)methyl]-4-({[(4-ethylphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-2189 Screening compound: 1-[(3-chlorophenyl)methyl]-4-({[(4-ethylphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-2189 Screening compound: 1-[(3-chlorophenyl)methyl]-4-({[(4-ethylphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-2189
1-[(3-chlorophenyl)methyl]-4-({[(4-ethylphenyl)methyl]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

C879-2189

Molecular Formula

C24H27ClN2O2 (C24 H27 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNCc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(O)=O)cc1

InChI

InChI=1S/C24H27ClN2O2/c1-4-18-8-10-19(11-9-18)13-26-14-22-16(2)27(17(3)23(22)24(28)29)15-20-6-5-7-21(25)12-20/h5-12,26H,4,13-15H2,1-3H3,(H,28,29)

InChI Key

RCGGGEAGOQSRLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803594

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

5.199

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.34

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C879-2189 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C879-2189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-2189?
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What is the minimum amount of C879-2189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-2189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-2189
  • 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 C879-2189 available by request