G396-0580 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-0580 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-0580 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0580
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-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

G396-0580

Molecular Formula

C21H22ClN3O2 (C21 H22 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc2cnccc2)c(C(O)=O)c(C)n1Cc(cc1)ccc1Cl

InChI

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

InChI Key

ZUTSOUVVEUEBJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008350

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

2.980

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.48

Polar Surface Area

51.628

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

11.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G396-0580 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0580?
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What is the minimum amount of G396-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0580
  • 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 G396-0580 available by request