G396-0131 Screening compound: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-0131 Screening compound: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-0131 Screening compound: 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0131
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-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

G396-0131

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc2cccs2)c(C(O)=O)c(C)n1Cc1cc(C)ccc1

InChI

InChI=1S/C21H24N2O2S/c1-14-6-4-7-17(10-14)13-23-15(2)19(20(16(23)3)21(24)25)12-22-11-18-8-5-9-26-18/h4-10,22H,11-13H2,1-3H3,(H,24,25)

InChI Key

XHKVIHDZZRVTRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.011

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.19

Polar Surface Area

43.128

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G396-0131 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0131?
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What is the minimum amount of G396-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0131
  • 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 G396-0131 available by request