G396-1217 Screening compound: 1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-1217 Screening compound: 1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-1217 Screening compound: 1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1217
1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-({[3-(4-phenylpiperazin-1-yl)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

G396-1217

Molecular Formula

C29H38N4O3 (C29 H38 N4 O3)

Compound Name

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

IUPAC name

1-[(4-methoxyphenyl)methyl]-25-dimethyl-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCCCN(CC2)CCN2c2ccccc2)c(C(O)=O)c(C)n1Cc(cc1)ccc1OC

InChI

InChI=1S/C29H38N4O3/c1-22-27(28(29(34)35)23(2)33(22)21-24-10-12-26(36-3)13-11-24)20-30-14-7-15-31-16-18-32(19-17-31)25-8-5-4-6-9-25/h4-6,8-13,30H,7,14-21H2,1-3H3,(H,34,35)

InChI Key

DUVWLLZASPLMMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.359

Water Solubility, LogSw

-3.47

Polar Surface Area

56.738

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

G396-1217 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G396-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1217?
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What is the minimum amount of G396-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1217
  • 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 G396-1217 available by request