G396-0934 Screening compound: 4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

G396-0934 Screening compound: 4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
G396-0934 Screening compound: 4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0934
4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)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

G396-0934

Molecular Formula

C27H34N2O4 (C27 H34 N2 O4)

Compound Name

4-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

IUPAC name

4-({[(25-dimethoxyphenyl)methyl]amino}methyl)-25-dimethyl-1-[(246-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCc(cc(cc2)OC)c2OC)c(C(O)=O)c(C)n1Cc1c(C)cc(C)cc1C

InChI

InChI=1S/C27H34N2O4/c1-16-10-17(2)24(18(3)11-16)15-29-19(4)23(26(20(29)5)27(30)31)14-28-13-21-12-22(32-6)8-9-25(21)33-7/h8-12,28H,13-15H2,1-7H3,(H,30,31)

InChI Key

NHIUODZMCCGJOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

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

5.333

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.30

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

37.00

G396-0934 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G396-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0934?
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What is the minimum amount of G396-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0934
  • 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 G396-0934 available by request