8007-5205 Screening compound: 3-nitro-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzamide

8007-5205 Screening compound: 3-nitro-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzamide
8007-5205 Screening compound: 3-nitro-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5205
3-nitro-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzamide

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

8007-5205

Molecular Formula

C19H18F3N3O3 (C19 H18 F3 N3 O3)

Compound Name

3-nitro-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzamide

IUPAC name

3-nitro-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

SMILES

[O-][N+](c1cccc(C(Nc(cc(C(F)(F)F)cc2)c2N2CCCCC2)=O)c1)=O

InChI

InChI=1S/C19H18F3N3O3/c20-19(21,22)14-7-8-17(24-9-2-1-3-10-24)16(12-14)23-18(26)13-5-4-6-15(11-13)25(27)28/h4-8,11-12H,1-3,9-10H2,(H,23,26)

InChI Key

HBHUACMPIHVSNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00351465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-5.31

Polar Surface Area

59.165

Acid Dissociation Constant (pKa)

4.81

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8007-5205 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 8007-5205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5205?
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What is the minimum amount of 8007-5205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5205
  • 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 8007-5205 available by request