C879-1893 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

C879-1893 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
C879-1893 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1893
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(2-methylphenyl)methyl]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

C879-1893

Molecular Formula

C23H24ClFN2O2 (C23 H24 ClFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc2c(C)cccc2)c(C(O)=O)c(C)n1Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C23H24ClFN2O2/c1-14-6-4-5-7-17(14)11-26-12-20-15(2)27(16(3)22(20)23(28)29)13-18-8-9-19(25)10-21(18)24/h4-10,26H,11-13H2,1-3H3,(H,28,29)

InChI Key

MJKKQCLEPRIAMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.328

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-5.56

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C879-1893 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C879-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1893?
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What is the minimum amount of C879-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1893
  • 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 C879-1893 available by request