Screening compound: AGHKAWLEMNHXDB-UHFFFAOYSA-N

Screening compound: AGHKAWLEMNHXDB-UHFFFAOYSA-N
Screening compound: AGHKAWLEMNHXDB-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
AGHKAWLEMNHXDB-UHFFFAOYSA-N

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

5765-1245

Molecular Formula

C26H33N3O (C26 H33 N3 O)

Compound Name

4-[(2E)-3-phenylprop-2-en-1-yl]-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-carboxamide

IUPAC name

4-[(2E)-3-phenylprop-2-en-1-yl]-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-carboxamide

SMILES

CC(C)(c1cc(C(C)=C)ccc1)NC(N1CCN(C/C=C/c2ccccc2)CC1)=O

InChI

InChI=1S/C26H33N3O/c1-21(2)23-13-8-14-24(20-23)26(3,4)27-25(30)29-18-16-28(17-19-29)15-9-12-22-10-6-5-7-11-22/h5-14,20H,1,15-19H2,2-4H3,(H,27,30)

InChI Key

AGHKAWLEMNHXDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01812561

AGHKAWLEMNHXDB-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

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

Frequently Asked Questions

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