C879-1291 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

C879-1291 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
C879-1291 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1291
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylethyl)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

C879-1291

Molecular Formula

C23H24ClFN2O2 (C23 H24 ClFN2 O2)

Compound Name

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

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-25-dimethyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCCc2ccccc2)c(C(O)=O)c(C)n1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C23H24ClFN2O2/c1-15-18(13-26-12-11-17-7-4-3-5-8-17)22(23(28)29)16(2)27(15)14-19-20(24)9-6-10-21(19)25/h3-10,26H,11-14H2,1-2H3,(H,28,29)

InChI Key

UBHZHUPSBUAWTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803353

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

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.24

Polar Surface Area

41.951

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C879-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1291?
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What is the minimum amount of C879-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1291
  • 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 C879-1291 available by request