5698-2836 Screening compound: 2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid

5698-2836 Screening compound: 2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid
5698-2836 Screening compound: 2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5698-2836
2-[3-(trifluoromethyl)benzenesulfonamido]propanoic 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

5698-2836

Molecular Formula

C10H10F3NO4S (C10 H10 F3 NO4 S)

Compound Name

2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid

IUPAC name

n/a

SMILES

CC(C(O)=O)NS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m0/s1

InChI Key

OZVPEEXYQQFKJL-LURJTMIESA-N

MDL Number (MFCD)

MFCD00172805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.319

Distribution Coefficient, logD

-2.475

Water Solubility, LogSw

-2.22

Polar Surface Area

70.053

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-7.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5698-2836 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5698-2836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5698-2836?
Check Price and Availability of 5698-2836, 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 5698-2836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5698-2836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5698-2836
  • 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 5698-2836 available by request