C879-1467 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-1467 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-1467 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1467
1-[(2,5-dimethylphenyl)methyl]-4-({[2-(4-ethoxyphenyl)ethyl]amino}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

C879-1467

Molecular Formula

C27H34N2O3 (C27 H34 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CCNCc2c(C)n(Cc3c(C)ccc(C)c3)c(C)c2C(O)=O)cc1

InChI

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

InChI Key

JMPVWDRJHNSYFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803395

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

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.993

Distribution Coefficient, logD

4.993

Water Solubility, LogSw

-4.48

Polar Surface Area

49.075

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with C879-1467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1467?
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What is the minimum amount of C879-1467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1467
  • 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 C879-1467 available by request