1553-0254 Screening compound: 4-(4-chlorophenyl)-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid

1553-0254 Screening compound: 4-(4-chlorophenyl)-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid
1553-0254 Screening compound: 4-(4-chlorophenyl)-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1553-0254
4-(4-chlorophenyl)-3-{[3-(trifluoromethyl)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

1553-0254

Molecular Formula

C18H15ClF3NO3 (C18 H15 ClF3 NO3)

Compound Name

4-(4-chlorophenyl)-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid

IUPAC name

4-(4-chlorophenyl)-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid

SMILES

OC(CC(Cc(cc1)ccc1Cl)C(Nc1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C18H15ClF3NO3/c19-14-6-4-11(5-7-14)8-12(9-16(24)25)17(26)23-15-3-1-2-13(10-15)18(20,21)22/h1-7,10,12H,8-9H2,(H,23,26)(H,24,25)/t12-/m1/s1

InChI Key

MWTMYLNMSBEAMV-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01079884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.77

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

3.847

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-4.10

Polar Surface Area

51.713

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

1553-0254 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1553-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1553-0254?
Check Price and Availability of 1553-0254, 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 1553-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1553-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1553-0254
  • 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 1553-0254 available by request