4676-0771 Screening compound: N~8~-{4-[(difluoromethyl)sulfanyl]phenyl}-8-quinolinesulfonamide

4676-0771 Screening compound: N~8~-{4-[(difluoromethyl)sulfanyl]phenyl}-8-quinolinesulfonamide
4676-0771 Screening compound: N~8~-{4-[(difluoromethyl)sulfanyl]phenyl}-8-quinolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-0771
N~8~-{4-[(difluoromethyl)sulfanyl]phenyl}-8-quinolinesulfonamide

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

4676-0771

Molecular Formula

C16H12F2N2O2S2 (C16 H12 F2 N2 O2 S2)

Compound Name

N~8~-{4-[(difluoromethyl)sulfanyl]phenyl}-8-quinolinesulfonamide

IUPAC name

N-{4-[(difluoromethyl)sulfanyl]phenyl}quinoline-8-sulfonamide

SMILES

O=S(c1cccc2cccnc12)(Nc(cc1)ccc1SC(F)F)=O

InChI

InChI=1S/C16H12F2N2O2S2/c17-16(18)23-13-8-6-12(7-9-13)20-24(21,22)14-5-1-3-11-4-2-10-19-15(11)14/h1-10,16,20H

InChI Key

MBXYXDGAGAZCBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01848163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-3.54

Polar Surface Area

50.421

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

4676-0771 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4676-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-0771?
Check Price and Availability of 4676-0771, 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 4676-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-0771
  • 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 4676-0771 available by request