C879-2051 Screening compound: 4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

C879-2051 Screening compound: 4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
C879-2051 Screening compound: 4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-2051
4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-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

C879-2051

Molecular Formula

C25H29ClN2O2 (C25 H29 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc2cccc(Cl)c2)c(C(O)=O)c(C)n1Cc1c(C)cc(C)cc1C

InChI

InChI=1S/C25H29ClN2O2/c1-15-9-16(2)23(17(3)10-15)14-28-18(4)22(24(19(28)5)25(29)30)13-27-12-20-7-6-8-21(26)11-20/h6-11,27H,12-14H2,1-5H3,(H,29,30)

InChI Key

SGXWGSZNUKXNLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.97

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

5.865

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-5.67

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C879-2051 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 C879-2051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-2051?
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What is the minimum amount of C879-2051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-2051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-2051
  • 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 C879-2051 available by request