G396-0457 Screening compound: 4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-0457 Screening compound: 4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-0457 Screening compound: 4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0457
4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)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

G396-0457

Molecular Formula

C24H27FN2O4 (C24 H27 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNCc(cc(cc2)OC)c2OC)c(C(O)=O)c(C)n1Cc1cccc(F)c1

InChI

InChI=1S/C24H27FN2O4/c1-15-21(13-26-12-18-11-20(30-3)8-9-22(18)31-4)23(24(28)29)16(2)27(15)14-17-6-5-7-19(25)10-17/h5-11,26H,12-14H2,1-4H3,(H,28,29)

InChI Key

PKXZRGDZBMXNKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

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

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.39

Polar Surface Area

57.284

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G396-0457 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 G396-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0457?
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What is the minimum amount of G396-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0457
  • 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 G396-0457 available by request