G396-0639 Screening compound: 1-(4-chlorobenzyl)-2,5-dimethyl-4-{[(2-piperidinoethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

G396-0639 Screening compound: 1-(4-chlorobenzyl)-2,5-dimethyl-4-{[(2-piperidinoethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
G396-0639 Screening compound: 1-(4-chlorobenzyl)-2,5-dimethyl-4-{[(2-piperidinoethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0639
1-(4-chlorobenzyl)-2,5-dimethyl-4-{[(2-piperidinoethyl)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

G396-0639

Molecular Formula

C22H30ClN3O2 (C22 H30 ClN3 O2)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1c(CNCCN2CCCCC2)c(C(O)=O)c(C)n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C22H30ClN3O2/c1-16-20(14-24-10-13-25-11-4-3-5-12-25)21(22(27)28)17(2)26(16)15-18-6-8-19(23)9-7-18/h6-9,24H,3-5,10-15H2,1-2H3,(H,27,28)

InChI Key

NSSKHJPURUXEQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.516

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-4.15

Polar Surface Area

45.934

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G396-0639 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G396-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0639?
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What is the minimum amount of G396-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0639
  • 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 G396-0639 available by request