8012-9006 Screening compound: 3-methyl-2-{[4-(trifluoromethyl)phenyl]formamido}pentanoic acid

8012-9006 Screening compound: 3-methyl-2-{[4-(trifluoromethyl)phenyl]formamido}pentanoic acid
8012-9006 Screening compound: 3-methyl-2-{[4-(trifluoromethyl)phenyl]formamido}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9006
3-methyl-2-{[4-(trifluoromethyl)phenyl]formamido}pentanoic 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

8012-9006

Molecular Formula

C14H16F3NO3 (C14 H16 F3 NO3)

Compound Name

3-methyl-2-{[4-(trifluoromethyl)phenyl]formamido}pentanoic acid

IUPAC name

3-methyl-2-{[4-(trifluoromethyl)phenyl]formamido}pentanoic acid

SMILES

CCC(C)C(C(O)=O)NC(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C14H16F3NO3/c1-3-8(2)11(13(20)21)18-12(19)9-4-6-10(7-5-9)14(15,16)17/h4-8,11H,3H2,1-2H3,(H,18,19)(H,20,21)

InChI Key

QDEBMUJFOODXQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

-1.660

Water Solubility, LogSw

-2.47

Polar Surface Area

52.684

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

8012-9006 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 8012-9006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9006?
Check Price and Availability of 8012-9006, 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 8012-9006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9006
  • 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 8012-9006 available by request