4695-0242 Screening compound: 3-dodecanamido-4-methylbenzoic acid

4695-0242 Screening compound: 3-dodecanamido-4-methylbenzoic acid
4695-0242 Screening compound: 3-dodecanamido-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-0242
3-dodecanamido-4-methylbenzoic 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

4695-0242

Molecular Formula

C20H31NO3 (C20 H31 NO3)

Compound Name

3-dodecanamido-4-methylbenzoic acid

IUPAC name

3-dodecanamido-4-methylbenzoic acid

SMILES

CCCCCCCCCCCC(Nc1c(C)ccc(C(O)=O)c1)=O

InChI

InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-9-10-11-12-19(22)21-18-15-17(20(23)24)14-13-16(18)2/h13-15H,3-12H2,1-2H3,(H,21,22)(H,23,24)

InChI Key

ZSJDAGHALXBLHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01884235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.145

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-5.09

Polar Surface Area

51.098

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

4695-0242 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4695-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-0242?
Check Price and Availability of 4695-0242, 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 4695-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-0242
  • 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 4695-0242 available by request