2294-0318 Screening compound: 5,5,5-trifluoro-4-[(4-nitrobenzenesulfonamido)methyl]pentanoic acid

2294-0318 Screening compound: 5,5,5-trifluoro-4-[(4-nitrobenzenesulfonamido)methyl]pentanoic acid
2294-0318 Screening compound: 5,5,5-trifluoro-4-[(4-nitrobenzenesulfonamido)methyl]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2294-0318
5,5,5-trifluoro-4-[(4-nitrobenzenesulfonamido)methyl]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

2294-0318

Molecular Formula

C12H13F3N2O6S (C12 H13 F3 N2 O6 S)

Compound Name

5,5,5-trifluoro-4-[(4-nitrobenzenesulfonamido)methyl]pentanoic acid

IUPAC name

555-trifluoro-4-[(4-nitrobenzenesulfonamido)methyl]pentanoic acid

SMILES

[O-][N+](c(cc1)ccc1S(NCC(CCC(O)=O)C(F)(F)F)(=O)=O)=O

InChI

InChI=1S/C12H13F3N2O6S/c13-12(14,15)8(1-6-11(18)19)7-16-24(22,23)10-4-2-9(3-5-10)17(20)21/h2-5,8,16H,1,6-7H2,(H,18,19)/t8-/m0/s1

InChI Key

NSEGVQVTJRXODS-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00723454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

-0.889

Water Solubility, LogSw

-2.69

Polar Surface Area

104.034

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 2294-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2294-0318?
Check Price and Availability of 2294-0318, 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 2294-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2294-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2294-0318
  • 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 2294-0318 available by request