K786-0345 Screening compound: 3-(butylsulfamoyl)-2,6-difluorobenzoic acid

K786-0345 Screening compound: 3-(butylsulfamoyl)-2,6-difluorobenzoic acid
K786-0345 Screening compound: 3-(butylsulfamoyl)-2,6-difluorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0345
3-(butylsulfamoyl)-2,6-difluorobenzoic 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

K786-0345

Molecular Formula

C11H13F2NO4S (C11 H13 F2 NO4 S)

Compound Name

3-(butylsulfamoyl)-2,6-difluorobenzoic acid

IUPAC name

3-(butylsulfamoyl)-26-difluorobenzoic acid

SMILES

CCCCNS(c(ccc(F)c1C(O)=O)c1F)(=O)=O

InChI

InChI=1S/C11H13F2NO4S/c1-2-3-6-14-19(17,18)8-5-4-7(12)9(10(8)13)11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)

InChI Key

KAIQFNHTXNRGDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.564

Distribution Coefficient, logD

-3.327

Water Solubility, LogSw

-2.94

Polar Surface Area

70.518

Acid Dissociation Constant (pKa)

1.51

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K786-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0345?
Check Price and Availability of K786-0345, 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 K786-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0345
  • 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 K786-0345 available by request