Y031-8964 Screening compound: N-(2-fluoro-5-nitrophenyl)-2,4,6-trimethyl-1-benzenesulfonamide

Y031-8964 Screening compound: N-(2-fluoro-5-nitrophenyl)-2,4,6-trimethyl-1-benzenesulfonamide
Y031-8964 Screening compound: N-(2-fluoro-5-nitrophenyl)-2,4,6-trimethyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8964
N-(2-fluoro-5-nitrophenyl)-2,4,6-trimethyl-1-benzenesulfonamide

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

Y031-8964

Molecular Formula

C15H15FN2O4S (C15 H15 FN2 O4 S)

Compound Name

N-(2-fluoro-5-nitrophenyl)-2,4,6-trimethyl-1-benzenesulfonamide

IUPAC name

N-(2-fluoro-5-nitrophenyl)-246-trimethylbenzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1S(Nc(cc(cc1)[N+]([O-])=O)c1F)(=O)=O

InChI

InChI=1S/C15H15FN2O4S/c1-9-6-10(2)15(11(3)7-9)23(21,22)17-14-8-12(18(19)20)4-5-13(14)16/h4-8,17H,1-3H3

InChI Key

AFOFFADWXUVTTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

-0.107

Water Solubility, LogSw

-4.36

Polar Surface Area

73.572

Acid Dissociation Constant (pKa)

2.90

Base Dissociation Constant (pKb)

-13.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y031-8964 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-8964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8964?
Check Price and Availability of Y031-8964, 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 Y031-8964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8964
  • 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 Y031-8964 available by request