G396-0449 Screening compound: 4-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-0449 Screening compound: 4-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-0449 Screening compound: 4-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0449
4-({[(2-ethoxyphenyl)methyl]amino}methyl)-1-[(3-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

G396-0449

Molecular Formula

C24H27FN2O3 (C24 H27 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNCc2c(C)n(Cc3cccc(F)c3)c(C)c2C(O)=O)cccc1

InChI

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

InChI Key

ZBIFVRDOXOCZPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008313

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

4.309

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.41

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 G396-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0449?
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What is the minimum amount of G396-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0449
  • 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 G396-0449 available by request