C879-1821 Screening compound: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

C879-1821 Screening compound: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
C879-1821 Screening compound: 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-[({[4-(propan-2-yloxy)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1821
2,5-dimethyl-1-[(4-methylphenyl)methyl]-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

C879-1821

Molecular Formula

C26H32N2O3 (C26 H32 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc1ccc(CNCc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(O)=O)cc1

InChI

InChI=1S/C26H32N2O3/c1-17(2)31-23-12-10-21(11-13-23)14-27-15-24-19(4)28(20(5)25(24)26(29)30)16-22-8-6-18(3)7-9-22/h6-13,17,27H,14-16H2,1-5H3,(H,29,30)

InChI Key

FRVLXYOUCNQWJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

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

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.39

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

34.60

C879-1821 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C879-1821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1821?
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What is the minimum amount of C879-1821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1821
  • 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 C879-1821 available by request