C525-2727 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide

C525-2727 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide
C525-2727 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C525-2727
(2E)-3-(4-methoxyphenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-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

C525-2727

Molecular Formula

C26H41N3O2 (C26 H41 N3 O2)

Compound Name

(2E)-3-(4-methoxyphenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide

IUPAC name

(2E)-3-(4-methoxyphenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide

SMILES

CC(CCCC1)C1N(C)C1CCN(CCCNC(/C=C/c(cc2)ccc2OC)=O)CC1

InChI

InChI=1S/C26H41N3O2/c1-21-7-4-5-8-25(21)28(2)23-15-19-29(20-16-23)18-6-17-27-26(30)14-11-22-9-12-24(31-3)13-10-22/h9-14,21,23,25H,4-8,15-20H2,1-3H3,(H,27,30)

InChI Key

YDSMCGCCFXJMPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

2.313

Water Solubility, LogSw

-4.05

Polar Surface Area

36.919

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.40

C525-2727 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C525-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C525-2727?
Check Price and Availability of C525-2727, 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 C525-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C525-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C525-2727
  • 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 C525-2727 available by request