C879-1900 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-1900 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-1900 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1900
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(2-fluorophenyl)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

C879-1900

Molecular Formula

C22H21ClF2N2O2 (C22 H21 ClF2 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc(cccc2)c2F)c(C(O)=O)c(C)n1Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C22H21ClF2N2O2/c1-13-18(11-26-10-15-5-3-4-6-20(15)25)21(22(28)29)14(2)27(13)12-16-7-8-17(24)9-19(16)23/h3-9,26H,10-12H2,1-2H3,(H,28,29)

InChI Key

BKEKBITUYOWQLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.87

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

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.61

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C879-1900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1900?
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What is the minimum amount of C879-1900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1900
  • 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 C879-1900 available by request