G396-1240 Screening compound: 4-({[(2-bromophenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-1240 Screening compound: 4-({[(2-bromophenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-1240 Screening compound: 4-({[(2-bromophenyl)methyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1240
4-({[(2-bromophenyl)methyl]amino}methyl)-1-[(4-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

G396-1240

Molecular Formula

C23H25BrN2O3 (C23 H25 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc(cccc2)c2Br)c(C(O)=O)c(C)n1Cc(cc1)ccc1OC

InChI

InChI=1S/C23H25BrN2O3/c1-15-20(13-25-12-18-6-4-5-7-21(18)24)22(23(27)28)16(2)26(15)14-17-8-10-19(29-3)11-9-17/h4-11,25H,12-14H2,1-3H3,(H,27,28)

InChI Key

KFGKLNVRCJCGNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.41

Polar Surface Area

49.654

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with G396-1240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1240?
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What is the minimum amount of G396-1240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1240
  • 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 G396-1240 available by request