C879-2073 Screening compound: 2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

C879-2073 Screening compound: 2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
C879-2073 Screening compound: 2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-2073
2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1-[(2,4,6-trimethylphenyl)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

C879-2073

Molecular Formula

C26H32N2O2 (C26 H32 N2 O2)

Compound Name

2,5-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

IUPAC name

25-dimethyl-4-({[(2-methylphenyl)methyl]amino}methyl)-1-[(246-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCc2c(C)cccc2)c(C(O)=O)c(C)n1Cc1c(C)cc(C)cc1C

InChI

InChI=1S/C26H32N2O2/c1-16-11-18(3)24(19(4)12-16)15-28-20(5)23(25(21(28)6)26(29)30)14-27-13-22-10-8-7-9-17(22)2/h7-12,27H,13-15H2,1-6H3,(H,29,30)

InChI Key

SVLGZUHKSGHAGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

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

6.021

Distribution Coefficient, logD

6.021

Water Solubility, LogSw

-5.30

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

34.60

C879-2073 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C879-2073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-2073?
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What is the minimum amount of C879-2073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-2073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-2073
  • 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 C879-2073 available by request