G396-0857 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

G396-0857 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
G396-0857 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0857
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)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

G396-0857

Molecular Formula

C27H34N2O3 (C27 H34 N2 O3)

Compound Name

1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(25-dimethylphenyl)methyl]-25-dimethyl-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

SMILES

CC(C)Oc1ccc(CNCc2c(C)n(Cc3c(C)ccc(C)c3)c(C)c2C(O)=O)cc1

InChI

InChI=1S/C27H34N2O3/c1-17(2)32-24-11-9-22(10-12-24)14-28-15-25-20(5)29(21(6)26(25)27(30)31)16-23-13-18(3)7-8-19(23)4/h7-13,17,28H,14-16H2,1-6H3,(H,30,31)

InChI Key

LQFAXVNZVULCGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

5.463

Water Solubility, LogSw

-5.31

Polar Surface Area

48.912

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with G396-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0857?
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What is the minimum amount of G396-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0857
  • 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 G396-0857 available by request