C879-1151 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-1151 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-1151 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1151
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[2-(2,5-dimethoxyphenyl)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

C879-1151

Molecular Formula

C25H28ClFN2O4 (C25 H28 ClFN2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCCc(cc(cc2)OC)c2OC)c(C(O)=O)c(C)n1Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C25H28ClFN2O4/c1-15-21(13-28-10-9-17-11-20(32-3)7-8-23(17)33-4)24(25(30)31)16(2)29(15)14-18-5-6-19(27)12-22(18)26/h5-8,11-12,28H,9-10,13-14H2,1-4H3,(H,30,31)

InChI Key

PKUIGYPWWZPUHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.653

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.60

Polar Surface Area

57.126

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C879-1151 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C879-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1151?
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What is the minimum amount of C879-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1151
  • 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 C879-1151 available by request