G396-1411 Screening compound: 1-benzyl-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

G396-1411 Screening compound: 1-benzyl-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
G396-1411 Screening compound: 1-benzyl-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1411
1-benzyl-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]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

G396-1411

Molecular Formula

C23H26N2O2S (C23 H26 N2 O2 S)

Compound Name

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

IUPAC name

1-benzyl-25-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCc(cc2)ccc2SC)c(C(O)=O)c(C)n1Cc1ccccc1

InChI

InChI=1S/C23H26N2O2S/c1-16-21(14-24-13-18-9-11-20(28-3)12-10-18)22(23(26)27)17(2)25(16)15-19-7-5-4-6-8-19/h4-12,24H,13-15H2,1-3H3,(H,26,27)

InChI Key

SXDXBWUKXLBXDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.39

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G396-1411 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1411?
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What is the minimum amount of G396-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1411
  • 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 G396-1411 available by request