Y501-5574 Screening compound: 4,4,4-trifluoro-3-hydroxy-N-(2-iodophenyl)-3-(trifluoromethyl)butanamide

Y501-5574 Screening compound: 4,4,4-trifluoro-3-hydroxy-N-(2-iodophenyl)-3-(trifluoromethyl)butanamide
Y501-5574 Screening compound: 4,4,4-trifluoro-3-hydroxy-N-(2-iodophenyl)-3-(trifluoromethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5574
4,4,4-trifluoro-3-hydroxy-N-(2-iodophenyl)-3-(trifluoromethyl)butanamide

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

Y501-5574

Molecular Formula

C11H8F6INO2 (C11 H8 F6 INO2)

Compound Name

4,4,4-trifluoro-3-hydroxy-N-(2-iodophenyl)-3-(trifluoromethyl)butanamide

IUPAC name

444-trifluoro-3-hydroxy-N-(2-iodophenyl)-3-(trifluoromethyl)butanamide

SMILES

OC(CC(Nc(cccc1)c1I)=O)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H8F6INO2/c12-10(13,14)9(21,11(15,16)17)5-8(20)19-7-4-2-1-3-6(7)18/h1-4,21H,5H2,(H,19,20)

InChI Key

APOBAVAYMZYLKX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.08

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.16

Polar Surface Area

38.225

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y501-5574 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-5574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5574?
Check Price and Availability of Y501-5574, 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 Y501-5574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5574
  • 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 Y501-5574 available by request