G396-0642 Screening compound: 4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-0642 Screening compound: 4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-0642 Screening compound: 4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0642
4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-1-[(4-chlorophenyl)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

G396-0642

Molecular Formula

C28H36ClN3O2 (C28 H36 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CCCNCc1c(C)n(Cc(cc2)ccc2Cl)c(C)c1C(O)=O)Cc1ccccc1

InChI

InChI=1S/C28H36ClN3O2/c1-20(2)31(18-23-9-6-5-7-10-23)16-8-15-30-17-26-21(3)32(22(4)27(26)28(33)34)19-24-11-13-25(29)14-12-24/h5-7,9-14,20,30H,8,15-19H2,1-4H3,(H,33,34)

InChI Key

VJVYHYJEFYGNBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.69

Polar Surface Area

45.549

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

G396-0642 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 G396-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0642?
Check Price and Availability of G396-0642, 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 G396-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0642
  • 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 G396-0642 available by request