G396-0832 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

G396-0832 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
G396-0832 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0832
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)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

G396-0832

Molecular Formula

C31H41N3O2 (C31 H41 N3 O2)

Compound Name

1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(25-dimethylphenyl)methyl]-25-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCC2CCN(Cc3ccc(C)cc3)CC2)c(C(O)=O)c(C)n1Cc1c(C)ccc(C)c1

InChI

InChI=1S/C31H41N3O2/c1-21-7-10-27(11-8-21)19-33-14-12-26(13-15-33)17-32-18-29-24(4)34(25(5)30(29)31(35)36)20-28-16-22(2)6-9-23(28)3/h6-11,16,26,32H,12-15,17-20H2,1-5H3,(H,35,36)

InChI Key

QPXZIRCRRYEIMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.69

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

6.112

Distribution Coefficient, logD

6.112

Water Solubility, LogSw

-5.29

Polar Surface Area

45.842

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

14.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

G396-0832 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-0832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0832?
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What is the minimum amount of G396-0832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0832
  • 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 G396-0832 available by request