0834-0004 Screening compound: 3-[(4-{[(1Z)-6-methyl-2-oxo-3-(propan-2-yl)cyclohexylidene]methyl}phenyl)carbamoyl]propanoic acid

0834-0004 Screening compound: 3-[(4-{[(1Z)-6-methyl-2-oxo-3-(propan-2-yl)cyclohexylidene]methyl}phenyl)carbamoyl]propanoic acid
0834-0004 Screening compound: 3-[(4-{[(1Z)-6-methyl-2-oxo-3-(propan-2-yl)cyclohexylidene]methyl}phenyl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0834-0004
3-[(4-{[(1Z)-6-methyl-2-oxo-3-(propan-2-yl)cyclohexylidene]methyl}phenyl)carbamoyl]propanoic 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

0834-0004

Molecular Formula

C21H27NO4 (C21 H27 NO4)

Compound Name

3-[(4-{[(1Z)-6-methyl-2-oxo-3-(propan-2-yl)cyclohexylidene]methyl}phenyl)carbamoyl]propanoic acid

IUPAC name

3-[(4-{[(1Z)-6-methyl-2-oxo-3-(propan-2-yl)cyclohexylidene]methyl}phenyl)carbamoyl]propanoic acid

SMILES

CC(C)C(CCC(C)/C1=C/c(cc2)ccc2NC(CCC(O)=O)=O)C1=O

InChI

InChI=1S/C21H27NO4/c1-13(2)17-9-4-14(3)18(21(17)26)12-15-5-7-16(8-6-15)22-19(23)10-11-20(24)25/h5-8,12-14,17H,4,9-11H2,1-3H3,(H,22,23)(H,24,25)

InChI Key

PBMVZXBUWLFUMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

0.358

Water Solubility, LogSw

-3.59

Polar Surface Area

64.839

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

0834-0004 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0834-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0834-0004?
Check Price and Availability of 0834-0004, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0834-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0834-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0834-0004
  • 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 0834-0004 available by request