G396-0461 Screening compound: 1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-[({3-[methyl(phenyl)amino]propyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

G396-0461 Screening compound: 1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-[({3-[methyl(phenyl)amino]propyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
G396-0461 Screening compound: 1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-[({3-[methyl(phenyl)amino]propyl}amino)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0461
1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-[({3-[methyl(phenyl)amino]propyl}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

G396-0461

Molecular Formula

C25H30FN3O2 (C25 H30 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCCCN(C)c2ccccc2)c(C(O)=O)c(C)n1Cc1cccc(F)c1

InChI

InChI=1S/C25H30FN3O2/c1-18-23(16-27-13-8-14-28(3)22-11-5-4-6-12-22)24(25(30)31)19(2)29(18)17-20-9-7-10-21(26)15-20/h4-7,9-12,15,27H,8,13-14,16-17H2,1-3H3,(H,30,31)

InChI Key

XXWGCRUCYWXHSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.98

Polar Surface Area

45.156

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with G396-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0461?
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What is the minimum amount of G396-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0461
  • 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 G396-0461 available by request