G396-0635 Screening compound: 1-[(4-chlorophenyl)methyl]-4-[({3-[ethyl(3-methylphenyl)amino]propyl}amino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-0635 Screening compound: 1-[(4-chlorophenyl)methyl]-4-[({3-[ethyl(3-methylphenyl)amino]propyl}amino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-0635 Screening compound: 1-[(4-chlorophenyl)methyl]-4-[({3-[ethyl(3-methylphenyl)amino]propyl}amino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0635
1-[(4-chlorophenyl)methyl]-4-[({3-[ethyl(3-methylphenyl)amino]propyl}amino)methyl]-2,5-dimethyl-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

G396-0635

Molecular Formula

C27H34ClN3O2 (C27 H34 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNCc1c(C)n(Cc(cc2)ccc2Cl)c(C)c1C(O)=O)c1cc(C)ccc1

InChI

InChI=1S/C27H34ClN3O2/c1-5-30(24-9-6-8-19(2)16-24)15-7-14-29-17-25-20(3)31(21(4)26(25)27(32)33)18-22-10-12-23(28)13-11-22/h6,8-13,16,29H,5,7,14-15,17-18H2,1-4H3,(H,32,33)

InChI Key

MYKYJDLJTYUZJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.194

Distribution Coefficient, logD

5.194

Water Solubility, LogSw

-5.40

Polar Surface Area

44.941

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

G396-0635 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G396-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0635?
Check Price and Availability of G396-0635, 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 G396-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0635
  • 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 G396-0635 available by request