P859-0781 Screening compound: 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H-imidazole-4-carboxamide

P859-0781 Screening compound: 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H-imidazole-4-carboxamide
P859-0781 Screening compound: 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P859-0781
1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H-imidazole-4-carboxamide

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

P859-0781

Molecular Formula

C21H25F3N4O3 (C21 H25 F3 N4 O3)

Compound Name

1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H-imidazole-4-carboxamide

IUPAC name

1-(1-acetylpiperidin-4-yl)-25-dimethyl-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H-imidazole-4-carboxamide

SMILES

CC(N(CC1)CCC1n1c(C)nc(C(NCc(cc2)ccc2OC(F)(F)F)=O)c1C)=O

InChI

InChI=1S/C21H25F3N4O3/c1-13-19(26-14(2)28(13)17-8-10-27(11-9-17)15(3)29)20(30)25-12-16-4-6-18(7-5-16)31-21(22,23)24/h4-7,17H,8-12H2,1-3H3,(H,25,30)

InChI Key

IRILHMFXLVFHOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27641503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.32

Polar Surface Area

60.347

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

P859-0781 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P859-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P859-0781?
Check Price and Availability of P859-0781, 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 P859-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P859-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P859-0781
  • 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 P859-0781 available by request