G396-1790 Screening compound: 1-(4-chlorophenyl)-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-1790 Screening compound: 1-(4-chlorophenyl)-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-1790 Screening compound: 1-(4-chlorophenyl)-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1790
1-(4-chlorophenyl)-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]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

G396-1790

Molecular Formula

C20H21ClN2O2S (C20 H21 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCCc2cccs2)c(C(O)=O)c(C)n1-c(cc1)ccc1Cl

InChI

InChI=1S/C20H21ClN2O2S/c1-13-18(12-22-10-9-17-4-3-11-26-17)19(20(24)25)14(2)23(13)16-7-5-15(21)6-8-16/h3-8,11,22H,9-10,12H2,1-2H3,(H,24,25)

InChI Key

FKXLRRCPSDOAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.92

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

3.835

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.52

Polar Surface Area

43.713

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

10.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G396-1790 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 G396-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1790?
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What is the minimum amount of G396-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1790
  • 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 G396-1790 available by request