8012-6393 Screening compound: 4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-1,3-benzenediol

8012-6393 Screening compound: 4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-1,3-benzenediol
8012-6393 Screening compound: 4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-1,3-benzenediol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6393
4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-1,3-benzenediol

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

8012-6393

Molecular Formula

C9H5ClF6O3S (C9 H5 ClF6 O3 S)

Compound Name

4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-1,3-benzenediol

IUPAC name

4-{[2-chloro-112-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}benzene-13-diol

SMILES

Oc(cc1)cc(O)c1SC(C(OC(F)(F)F)(F)Cl)(F)F

InChI

InChI=1S/C9H5ClF6O3S/c10-7(11,19-9(14,15)16)8(12,13)20-6-2-1-4(17)3-5(6)18/h1-3,17-18H/t7-/m1/s1

InChI Key

BWNYFRIKEGXHCS-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD00788334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.29

Polar Surface Area

39.904

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8012-6393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6393?
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What is the minimum amount of 8012-6393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6393
  • 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 8012-6393 available by request