G396-0366 Screening compound: 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-0366 Screening compound: 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-0366 Screening compound: 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0366
1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]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

G396-0366

Molecular Formula

C21H29FN2O2S (C21 H29 FN2 O2 S)

Compound Name

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

IUPAC name

1-[(2-fluorophenyl)methyl]-25-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

SMILES

CCCSCCCNCc1c(C)n(Cc(cccc2)c2F)c(C)c1C(O)=O

InChI

InChI=1S/C21H29FN2O2S/c1-4-11-27-12-7-10-23-13-18-15(2)24(16(3)20(18)21(25)26)14-17-8-5-6-9-19(17)22/h5-6,8-9,23H,4,7,10-14H2,1-3H3,(H,25,26)

InChI Key

NSVFNZIQIJMTLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.05

Polar Surface Area

42.223

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G396-0366 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G396-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0366?
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What is the minimum amount of G396-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0366
  • 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 G396-0366 available by request