C879-1834 Screening compound: 4-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-1834 Screening compound: 4-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-1834 Screening compound: 4-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1834
4-({[(2-ethoxyphenyl)methyl]amino}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

C879-1834

Molecular Formula

C24H27FN2O3 (C24 H27 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNCc2c(C)n(Cc(cccc3)c3F)c(C)c2C(O)=O)cccc1

InChI

InChI=1S/C24H27FN2O3/c1-4-30-22-12-8-6-9-18(22)13-26-14-20-16(2)27(17(3)23(20)24(28)29)15-19-10-5-7-11-21(19)25/h5-12,26H,4,13-15H2,1-3H3,(H,28,29)

InChI Key

SGVXRMYUWZJLNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.43

Polar Surface Area

49.320

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C879-1834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1834?
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What is the minimum amount of C879-1834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1834
  • 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 C879-1834 available by request