C879-1829 Screening compound: 4-[(benzylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-1829 Screening compound: 4-[(benzylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-1829 Screening compound: 4-[(benzylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1829
4-[(benzylamino)methyl]-1-[(2-fluorophenyl)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

C879-1829

Molecular Formula

C22H23FN2O2 (C22 H23 FN2 O2)

Compound Name

4-[(benzylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

4-[(benzylamino)methyl]-1-[(2-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCc2ccccc2)c(C(O)=O)c(C)n1Cc(cccc1)c1F

InChI

InChI=1S/C22H23FN2O2/c1-15-19(13-24-12-17-8-4-3-5-9-17)21(22(26)27)16(2)25(15)14-18-10-6-7-11-20(18)23/h3-11,24H,12-14H2,1-2H3,(H,26,27)

InChI Key

HTHRCLRKCURCFR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

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

3.891

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-4.28

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C879-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1829?
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What is the minimum amount of C879-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1829
  • 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 C879-1829 available by request