5119-4141 Screening compound: 2-{[2,2,2-TRIFLUORO-1-[(3-PYRIDYLCARBONYL)AMINO]-1-(TRIFLUOROMETHYL)ETHYL]SULFANYL}ACETIC ACID

5119-4141 Screening compound: 2-{[2,2,2-TRIFLUORO-1-[(3-PYRIDYLCARBONYL)AMINO]-1-(TRIFLUOROMETHYL)ETHYL]SULFANYL}ACETIC ACID
5119-4141 Screening compound: 2-{[2,2,2-TRIFLUORO-1-[(3-PYRIDYLCARBONYL)AMINO]-1-(TRIFLUOROMETHYL)ETHYL]SULFANYL}ACETIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-4141
2-{[2,2,2-TRIFLUORO-1-[(3-PYRIDYLCARBONYL)AMINO]-1-(TRIFLUOROMETHYL)ETHYL]SULFANYL}ACETIC 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

5119-4141

Molecular Formula

C11H8F6N2O3S (C11 H8 F6 N2 O3 S)

Compound Name

2-{[2,2,2-TRIFLUORO-1-[(3-PYRIDYLCARBONYL)AMINO]-1-(TRIFLUOROMETHYL)ETHYL]SULFANYL}ACETIC ACID

IUPAC name

n/a

SMILES

OC(CSC(C(F)(F)F)(C(F)(F)F)NC(c1cnccc1)=O)=O

InChI

InChI=1S/C11H8F6N2O3S/c12-10(13,14)9(11(15,16)17,23-5-7(20)21)19-8(22)6-2-1-3-18-4-6/h1-4H,5H2,(H,19,22)(H,20,21)

InChI Key

NCZWQHYXKHFBBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02905936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.522

Distribution Coefficient, logD

-2.418

Water Solubility, LogSw

-1.71

Polar Surface Area

61.768

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

5119-4141 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5119-4141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-4141?
Check Price and Availability of 5119-4141, 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 5119-4141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-4141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-4141
  • 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 5119-4141 available by request