0588-0008 Screening compound: 2-[(4-METHOXYPHENYL)AMINO]ETHANE-1-SULFONYL FLUORIDE

0588-0008 Screening compound: 2-[(4-METHOXYPHENYL)AMINO]ETHANE-1-SULFONYL FLUORIDE
0588-0008 Screening compound: 2-[(4-METHOXYPHENYL)AMINO]ETHANE-1-SULFONYL FLUORIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0588-0008
2-[(4-METHOXYPHENYL)AMINO]ETHANE-1-SULFONYL FLUORIDE

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

0588-0008

Molecular Formula

C9H12FNO3S (C9 H12 FNO3 S)

Compound Name

2-[(4-METHOXYPHENYL)AMINO]ETHANE-1-SULFONYL FLUORIDE

IUPAC name

n/a

SMILES

COc(cc1)ccc1NCCS(F)(=O)=O

InChI

InChI=1S/C9H12FNO3S/c1-14-9-4-2-8(3-5-9)11-6-7-15(10,12)13/h2-5,11H,6-7H2,1H3

InChI Key

JTKHPBZSAWIHPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989382

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

233.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

1.245

Water Solubility, LogSw

-2.06

Polar Surface Area

47.283

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0588-0008 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0588-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0588-0008?
Check Price and Availability of 0588-0008, 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 0588-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0588-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0588-0008
  • 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 0588-0008 available by request