C525-3287 Screening compound: (2E)-3-(2,4-dichlorophenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide

C525-3287 Screening compound: (2E)-3-(2,4-dichlorophenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide
C525-3287 Screening compound: (2E)-3-(2,4-dichlorophenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C525-3287
(2E)-3-(2,4-dichlorophenyl)-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

C525-3287

Molecular Formula

C25H37Cl2N3O (C25 H37 Cl2 N3 O)

Compound Name

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

IUPAC name

(2E)-3-(24-dichlorophenyl)-N-(3-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}propyl)prop-2-enamide

SMILES

CC(CCCC1)C1N(C)C1CCN(CCCNC(/C=C/c(ccc(Cl)c2)c2Cl)=O)CC1

InChI

InChI=1S/C25H37Cl2N3O/c1-19-6-3-4-7-24(19)29(2)22-12-16-30(17-13-22)15-5-14-28-25(31)11-9-20-8-10-21(26)18-23(20)27/h8-11,18-19,22,24H,3-7,12-17H2,1-2H3,(H,28,31)

InChI Key

BAABIFGTXNHFLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-6.09

Polar Surface Area

29.375

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.00

C525-3287 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C525-3287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C525-3287?
Check Price and Availability of C525-3287, 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 C525-3287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C525-3287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C525-3287
  • 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 C525-3287 available by request