8012-4225 Screening compound: N-{1,1,1,3,3,3-hexafluoro-2-[2-(pyridin-3-yl)piperidin-1-yl]propan-2-yl}-4-methoxybenzamide

8012-4225 Screening compound: N-{1,1,1,3,3,3-hexafluoro-2-[2-(pyridin-3-yl)piperidin-1-yl]propan-2-yl}-4-methoxybenzamide
8012-4225 Screening compound: N-{1,1,1,3,3,3-hexafluoro-2-[2-(pyridin-3-yl)piperidin-1-yl]propan-2-yl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4225
N-{1,1,1,3,3,3-hexafluoro-2-[2-(pyridin-3-yl)piperidin-1-yl]propan-2-yl}-4-methoxybenzamide

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

8012-4225

Molecular Formula

C21H21F6N3O2 (C21 H21 F6 N3 O2)

Compound Name

N-{1,1,1,3,3,3-hexafluoro-2-[2-(pyridin-3-yl)piperidin-1-yl]propan-2-yl}-4-methoxybenzamide

IUPAC name

N-{111333-hexafluoro-2-[2-(pyridin-3-yl)piperidin-1-yl]propan-2-yl}-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NC(C(F)(F)F)(C(F)(F)F)N(CCCC1)C1c1cnccc1)=O

InChI

InChI=1S/C21H21F6N3O2/c1-32-16-9-7-14(8-10-16)18(31)29-19(20(22,23)24,21(25,26)27)30-12-3-2-6-17(30)15-5-4-11-28-13-15/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,29,31)/t17-/m0/s1

InChI Key

LSGMAWNLDJVRED-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02934919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

-0.441

Water Solubility, LogSw

-3.87

Polar Surface Area

43.003

Acid Dissociation Constant (pKa)

2.70

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8012-4225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4225?
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What is the minimum amount of 8012-4225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4225
  • 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 8012-4225 available by request