8015-9048 Screening compound: 4-(3,5-dimethylphenyl)-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}butanoic acid

8015-9048 Screening compound: 4-(3,5-dimethylphenyl)-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}butanoic acid
8015-9048 Screening compound: 4-(3,5-dimethylphenyl)-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9048
4-(3,5-dimethylphenyl)-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}butanoic 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

8015-9048

Molecular Formula

C20H20F3NO4 (C20 H20 F3 NO4)

Compound Name

4-(3,5-dimethylphenyl)-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}butanoic acid

IUPAC name

4-(35-dimethylphenyl)-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}butanoic acid

SMILES

Cc1cc(CC(CC(O)=O)C(Nc(cc2)ccc2OC(F)(F)F)=O)cc(C)c1

InChI

InChI=1S/C20H20F3NO4/c1-12-7-13(2)9-14(8-12)10-15(11-18(25)26)19(27)24-16-3-5-17(6-4-16)28-20(21,22)23/h3-9,15H,10-11H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1

InChI Key

XVKSHTGWQJKWHU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05259076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.602

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-4.35

Polar Surface Area

57.650

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8015-9048 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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 8015-9048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9048?
Check Price and Availability of 8015-9048, 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 8015-9048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9048
  • 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 8015-9048 available by request