8015-5713 Screening compound: 1,1,1,3,3,3-hexafluoro-2-(6-quinolyl)-2-propanol

8015-5713 Screening compound: 1,1,1,3,3,3-hexafluoro-2-(6-quinolyl)-2-propanol
8015-5713 Screening compound: 1,1,1,3,3,3-hexafluoro-2-(6-quinolyl)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5713
1,1,1,3,3,3-hexafluoro-2-(6-quinolyl)-2-propanol

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

8015-5713

Molecular Formula

C12H7F6NO (C12 H7 F6 NO)

Compound Name

1,1,1,3,3,3-hexafluoro-2-(6-quinolyl)-2-propanol

IUPAC name

111333-hexafluoro-2-(quinolin-6-yl)propan-2-ol

SMILES

OC(C(F)(F)F)(C(F)(F)F)c1cc2cccnc2cc1

InChI

InChI=1S/C12H7F6NO/c13-11(14,15)10(20,12(16,17)18)8-3-4-9-7(6-8)2-1-5-19-9/h1-6,20H

InChI Key

WLKXUEBKRPIGDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05256902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.18

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.25

Polar Surface Area

24.069

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8015-5713 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8015-5713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5713?
Check Price and Availability of 8015-5713, 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 8015-5713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5713
  • 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 8015-5713 available by request