G396-0991 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylpropyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

G396-0991 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylpropyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
G396-0991 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylpropyl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0991
1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-{[(2-phenylpropyl)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

G396-0991

Molecular Formula

C24H27ClN2O2 (C24 H27 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CNCc1c(C)n(Cc(cccc2)c2Cl)c(C)c1C(O)=O)c1ccccc1

InChI

InChI=1S/C24H27ClN2O2/c1-16(19-9-5-4-6-10-19)13-26-14-21-17(2)27(18(3)23(21)24(28)29)15-20-11-7-8-12-22(20)25/h4-12,16,26H,13-15H2,1-3H3,(H,28,29)/t16-/m0/s1

InChI Key

FMFOEYJITUXCQZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15008485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-5.69

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

G396-0991 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0991?
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What is the minimum amount of G396-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0991
  • 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 G396-0991 available by request