G396-0644 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

G396-0644 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
G396-0644 Screening compound: 1-[(4-chlorophenyl)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 G396-0644
1-[(4-chlorophenyl)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

G396-0644

Molecular Formula

C28H35ClN4O2 (C28 H35 ClN4 O2)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)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)ccc1Cl

InChI

InChI=1S/C28H35ClN4O2/c1-21-26(27(28(34)35)22(2)33(21)20-23-9-11-24(29)12-10-23)19-30-13-6-14-31-15-17-32(18-16-31)25-7-4-3-5-8-25/h3-5,7-12,30H,6,13-20H2,1-2H3,(H,34,35)

InChI Key

CZMFILQGZXPYEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.44

Polar Surface Area

49.194

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

G396-0644 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G396-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0644?
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What is the minimum amount of G396-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0644
  • 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 G396-0644 available by request