8010-7306 Screening compound: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-piperidinol

8010-7306 Screening compound: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-piperidinol
8010-7306 Screening compound: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-piperidinol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7306
1-[4-nitro-2-(trifluoromethyl)phenyl]-3-piperidinol

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

8010-7306

Molecular Formula

C12H13F3N2O3 (C12 H13 F3 N2 O3)

Compound Name

1-[4-nitro-2-(trifluoromethyl)phenyl]-3-piperidinol

IUPAC name

1-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-ol

SMILES

[O-][N+](c(cc1)cc(C(F)(F)F)c1N(CCC1)CC1O)=O

InChI

InChI=1S/C12H13F3N2O3/c13-12(14,15)10-6-8(17(19)20)3-4-11(10)16-5-1-2-9(18)7-16/h3-4,6,9,18H,1-2,5,7H2/t9-/m0/s1

InChI Key

FLUTWJLCAAXTQJ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02039787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-2.74

Polar Surface Area

52.427

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8010-7306 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-7306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7306?
Check Price and Availability of 8010-7306, 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 8010-7306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7306
  • 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 8010-7306 available by request