G396-1034 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-[({3-[methyl(phenyl)amino]propyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

G396-1034 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-[({3-[methyl(phenyl)amino]propyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
G396-1034 Screening compound: 1-[(2-chlorophenyl)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 G396-1034
1-[(2-chlorophenyl)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

G396-1034

Molecular Formula

C25H30ClN3O2 (C25 H30 ClN3 O2)

Compound Name

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

IUPAC name

1-[(2-chlorophenyl)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)n1Cc(cccc1)c1Cl

InChI

InChI=1S/C25H30ClN3O2/c1-18-22(16-27-14-9-15-28(3)21-11-5-4-6-12-21)24(25(30)31)19(2)29(18)17-20-10-7-8-13-23(20)26/h4-8,10-13,27H,9,14-17H2,1-3H3,(H,30,31)

InChI Key

SMGFJMJDPDNUOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.98

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

3.920

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.06

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 G396-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1034?
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What is the minimum amount of G396-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1034
  • 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 G396-1034 available by request