G396-1129 Screening compound: 4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-1129 Screening compound: 4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-1129 Screening compound: 4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1129
4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(3-methoxyphenyl)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

G396-1129

Molecular Formula

C24H27BrN2O4 (C24 H27 BrN2 O4)

Compound Name

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

IUPAC name

4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(3-methoxyphenyl)methyl]-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCc(cc(cc2)Br)c2OC)c(C(O)=O)c(C)n1Cc1cc(OC)ccc1

InChI

InChI=1S/C24H27BrN2O4/c1-15-21(13-26-12-18-11-19(25)8-9-22(18)31-4)23(24(28)29)16(2)27(15)14-17-6-5-7-20(10-17)30-3/h5-11,26H,12-14H2,1-4H3,(H,28,29)

InChI Key

BXLOYLGTXCYXLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

4.527

Water Solubility, LogSw

-4.53

Polar Surface Area

57.284

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G396-1129 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 G396-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1129?
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What is the minimum amount of G396-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1129
  • 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 G396-1129 available by request