G396-0663 Screening compound: 4-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-0663 Screening compound: 4-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-0663 Screening compound: 4-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0663
4-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-chlorophenyl)methyl]-2,5-dimethyl-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

G396-0663

Molecular Formula

C22H22BrClN2O2 (C22 H22 BrClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc2cccc(Br)c2)c(C(O)=O)c(C)n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C22H22BrClN2O2/c1-14-20(12-25-11-17-4-3-5-18(23)10-17)21(22(27)28)15(2)26(14)13-16-6-8-19(24)9-7-16/h3-10,25H,11-13H2,1-2H3,(H,27,28)

InChI Key

AMSNNGSUPPINLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.960

Water Solubility, LogSw

-4.89

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G396-0663 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G396-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0663?
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What is the minimum amount of G396-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0663
  • 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 G396-0663 available by request