8019-0926 Screening compound: 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(methylamino)phenyl]propan-2-ol

8019-0926 Screening compound: 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(methylamino)phenyl]propan-2-ol
8019-0926 Screening compound: 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(methylamino)phenyl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0926
1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(methylamino)phenyl]propan-2-ol

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

8019-0926

Molecular Formula

C13H9F12NO2 (C13 H9 F12 NO2)

Compound Name

1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(methylamino)phenyl]propan-2-ol

IUPAC name

111333-hexafluoro-2-[5-(111333-hexafluoro-2-hydroxypropan-2-yl)-2-(methylamino)phenyl]propan-2-ol

SMILES

CNc1c(C(C(F)(F)F)(C(F)(F)F)O)cc(C(C(F)(F)F)(C(F)(F)F)O)cc1

InChI

InChI=1S/C13H9F12NO2/c1-26-7-3-2-5(8(27,10(14,15)16)11(17,18)19)4-6(7)9(28,12(20,21)22)13(23,24)25/h2-4,26-28H,1H3

InChI Key

KISCZFGJYHNLDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03004904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.33

Polar Surface Area

40.333

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

8019-0926 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-0926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0926?
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What is the minimum amount of 8019-0926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0926
  • 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 8019-0926 available by request