G396-2286 Screening compound: 2,5-dimethyl-1-(4-methylphenyl)-4-{[(2-piperidinoethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

G396-2286 Screening compound: 2,5-dimethyl-1-(4-methylphenyl)-4-{[(2-piperidinoethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
G396-2286 Screening compound: 2,5-dimethyl-1-(4-methylphenyl)-4-{[(2-piperidinoethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-2286
2,5-dimethyl-1-(4-methylphenyl)-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

G396-2286

Molecular Formula

C22H31N3O2 (C22 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCCN2CCCCC2)c(C(O)=O)c(C)n1-c1ccc(C)cc1

InChI

InChI=1S/C22H31N3O2/c1-16-7-9-19(10-8-16)25-17(2)20(21(18(25)3)22(26)27)15-23-11-14-24-12-5-4-6-13-24/h7-10,23H,4-6,11-15H2,1-3H3,(H,26,27)

InChI Key

VXLKIHYAWAOTAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.17

Polar Surface Area

46.677

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

10.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G396-2286 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-2286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-2286?
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What is the minimum amount of G396-2286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-2286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-2286
  • 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 G396-2286 available by request