8017-2663 Screening compound: N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1,3(2H)-pyridinedicarboxamide

8017-2663 Screening compound: N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1,3(2H)-pyridinedicarboxamide
8017-2663 Screening compound: N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1,3(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2663
N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1,3(2H)-pyridinedicarboxamide

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

8017-2663

Molecular Formula

C14H16F3N3O2 (C14 H16 F3 N3 O2)

Compound Name

N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1,3(2H)-pyridinedicarboxamide

IUPAC name

N1-[3-(trifluoromethyl)phenyl]piperidine-13-dicarboxamide

SMILES

NC(C(CCC1)CN1C(Nc1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C14H16F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)19-13(22)20-6-2-3-9(8-20)12(18)21/h1,4-5,7,9H,2-3,6,8H2,(H2,18,21)(H,19,22)/t9-/m0/s1

InChI Key

VKAJDJJCHLCGPG-VIFPVBQESA-N

MDL Number (MFCD)

MFCD06015446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.67

Polar Surface Area

59.700

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with 8017-2663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2663?
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What is the minimum amount of 8017-2663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2663
  • 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 8017-2663 available by request