G396-0750 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-0750 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-0750 Screening compound: 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0750
1-[(3-chlorophenyl)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

G396-0750

Molecular Formula

C21H29ClN2O2S (C21 H29 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCSCCCNCc1c(C)n(Cc2cccc(Cl)c2)c(C)c1C(O)=O

InChI

InChI=1S/C21H29ClN2O2S/c1-4-10-27-11-6-9-23-13-19-15(2)24(16(3)20(19)21(25)26)14-17-7-5-8-18(22)12-17/h5,7-8,12,23H,4,6,9-11,13-14H2,1-3H3,(H,25,26)

InChI Key

WPVRAKJGSMECGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.99

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

4.014

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.31

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

G396-0750 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 G396-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0750?
Check Price and Availability of G396-0750, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G396-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0750
  • 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 G396-0750 available by request