4157-3448 Screening compound: 4,6-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzene-1,3-diol

4157-3448 Screening compound: 4,6-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzene-1,3-diol
4157-3448 Screening compound: 4,6-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-3448
4,6-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzene-1,3-diol

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

4157-3448

Molecular Formula

C12H6F12O4 (C12 H6 F12 O4)

Compound Name

4,6-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzene-1,3-diol

IUPAC name

46-bis(111333-hexafluoro-2-hydroxypropan-2-yl)benzene-13-diol

SMILES

OC(C(F)(F)F)(C(F)(F)F)c(c(O)c1)cc(C(C(F)(F)F)(C(F)(F)F)O)c1O

InChI

InChI=1S/C12H6F12O4/c13-9(14,15)7(27,10(16,17)18)3-1-4(6(26)2-5(3)25)8(28,11(19,20)21)12(22,23)24/h1-2,25-28H

InChI Key

TXFXXEJWUDKWKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.13

Polar Surface Area

63.471

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4157-3448 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4157-3448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-3448?
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What is the minimum amount of 4157-3448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-3448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-3448
  • 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 4157-3448 available by request