5604-0115 Screening compound: 3-methyl-4-[(4-methylphenyl)carbamoyl]-2-propylbutanoic acid

5604-0115 Screening compound: 3-methyl-4-[(4-methylphenyl)carbamoyl]-2-propylbutanoic acid
5604-0115 Screening compound: 3-methyl-4-[(4-methylphenyl)carbamoyl]-2-propylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0115
3-methyl-4-[(4-methylphenyl)carbamoyl]-2-propylbutanoic 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

5604-0115

Molecular Formula

C16H23NO3 (C16 H23 NO3)

Compound Name

3-methyl-4-[(4-methylphenyl)carbamoyl]-2-propylbutanoic acid

IUPAC name

3-methyl-4-[(4-methylphenyl)carbamoyl]-2-propylbutanoic acid

SMILES

CCCC(C(C)CC(Nc1ccc(C)cc1)=O)C(O)=O

InChI

InChI=1S/C16H23NO3/c1-4-5-14(16(19)20)12(3)10-15(18)17-13-8-6-11(2)7-9-13/h6-9,12,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)

InChI Key

RZBBMMVKEQEXIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01088699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-3.42

Polar Surface Area

51.796

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

5604-0115 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5604-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0115?
Check Price and Availability of 5604-0115, 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 5604-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0115
  • 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 5604-0115 available by request