3075-0823 Screening compound: 2-[(3,5-dimethylphenyl)methyl]-3-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

3075-0823 Screening compound: 2-[(3,5-dimethylphenyl)methyl]-3-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid
3075-0823 Screening compound: 2-[(3,5-dimethylphenyl)methyl]-3-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3075-0823
2-[(3,5-dimethylphenyl)methyl]-3-methyl-3-{[3-(trifluoromethyl)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

3075-0823

Molecular Formula

C21H22F3NO3 (C21 H22 F3 NO3)

Compound Name

2-[(3,5-dimethylphenyl)methyl]-3-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

IUPAC name

2-[(35-dimethylphenyl)methyl]-3-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

SMILES

CC(C(Cc1cc(C)cc(C)c1)C(O)=O)C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C21H22F3NO3/c1-12-7-13(2)9-15(8-12)10-18(20(27)28)14(3)19(26)25-17-6-4-5-16(11-17)21(22,23)24/h4-9,11,14,18H,10H2,1-3H3,(H,25,26)(H,27,28)

InChI Key

LRIUCVQDZOCJSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03206710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.41

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

5.195

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-4.91

Polar Surface Area

51.738

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

3075-0823 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 3075-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3075-0823?
Check Price and Availability of 3075-0823, 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 3075-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3075-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3075-0823
  • 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 3075-0823 available by request