G396-0640 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

G396-0640 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
G396-0640 Screening compound: 1-[(4-chlorophenyl)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 G396-0640
1-[(4-chlorophenyl)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

G396-0640

Molecular Formula

C29H36ClN3O2 (C29 H36 ClN3 O2)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)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)n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C29H36ClN3O2/c1-20-4-6-24(7-5-20)18-32-14-12-23(13-15-32)16-31-17-27-21(2)33(22(3)28(27)29(34)35)19-25-8-10-26(30)11-9-25/h4-11,23,31H,12-19H2,1-3H3,(H,34,35)

InChI Key

SEINOFZSUKDBSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.08

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

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.89

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

41.40

G396-0640 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G396-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0640?
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What is the minimum amount of G396-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0640
  • 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 G396-0640 available by request