8012-6417 Screening compound: methyl 2-[(2,4-dihydroxyphenyl)sulfanyl]-2,3,3,3-tetrafluoropropanoate

8012-6417 Screening compound: methyl 2-[(2,4-dihydroxyphenyl)sulfanyl]-2,3,3,3-tetrafluoropropanoate
8012-6417 Screening compound: methyl 2-[(2,4-dihydroxyphenyl)sulfanyl]-2,3,3,3-tetrafluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6417
methyl 2-[(2,4-dihydroxyphenyl)sulfanyl]-2,3,3,3-tetrafluoropropanoate

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

8012-6417

Molecular Formula

C10H8F4O4S (C10 H8 F4 O4 S)

Compound Name

methyl 2-[(2,4-dihydroxyphenyl)sulfanyl]-2,3,3,3-tetrafluoropropanoate

IUPAC name

methyl 2-[(24-dihydroxyphenyl)sulfanyl]-2333-tetrafluoropropanoate

SMILES

COC(C(C(F)(F)F)(F)Sc(ccc(O)c1)c1O)=O

InChI

InChI=1S/C10H8F4O4S/c1-18-8(17)9(11,10(12,13)14)19-7-3-2-5(15)4-6(7)16/h2-4,15-16H,1H3/t9-/m1/s1

InChI Key

HZDAWSAXPMOJDH-SECBINFHSA-N

MDL Number (MFCD)

MFCD00788357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-2.91

Polar Surface Area

55.577

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8012-6417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6417?
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What is the minimum amount of 8012-6417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6417
  • 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 8012-6417 available by request