G396-0960 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-0960 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-0960 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0960
1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-2-yl)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

G396-0960

Molecular Formula

C21H22ClN3O2 (C21 H22 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc2ncccc2)c(C(O)=O)c(C)n1Cc(cccc1)c1Cl

InChI

InChI=1S/C21H22ClN3O2/c1-14-18(12-23-11-17-8-5-6-10-24-17)20(21(26)27)15(2)25(14)13-16-7-3-4-9-19(16)22/h3-10,23H,11-13H2,1-2H3,(H,26,27)

InChI Key

VRJFURBOAOECLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.26

Polar Surface Area

51.653

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

11.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G396-0960 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with G396-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0960?
Check Price and Availability of G396-0960, 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 G396-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0960
  • 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 G396-0960 available by request