P890-0166 Screening compound: (2E)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylprop-2-enamide

P890-0166 Screening compound: (2E)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylprop-2-enamide
P890-0166 Screening compound: (2E)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P890-0166
(2E)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylprop-2-enamide

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

P890-0166

Molecular Formula

C19H23N3O2 (C19 H23 N3 O2)

Compound Name

(2E)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[1-(3-ethyl-124-oxadiazol-5-yl)cyclohexyl]-3-phenylprop-2-enamide

SMILES

CCc1noc(C2(CCCCC2)NC(/C=C/c2ccccc2)=O)n1

InChI

InChI=1S/C19H23N3O2/c1-2-16-20-18(24-22-16)19(13-7-4-8-14-19)21-17(23)12-11-15-9-5-3-6-10-15/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3,(H,21,23)

InChI Key

KKZOOHNVJQFQPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.17

Polar Surface Area

56.870

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P890-0166 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with P890-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P890-0166?
Check Price and Availability of P890-0166, 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 P890-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P890-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P890-0166
  • 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 P890-0166 available by request