5236-0009 Screening compound: 3-[(2-amino-4-methylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

5236-0009 Screening compound: 3-[(2-amino-4-methylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one
5236-0009 Screening compound: 3-[(2-amino-4-methylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5236-0009
3-[(2-amino-4-methylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

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

5236-0009

Molecular Formula

C17H18N2O2 (C17 H18 N2 O2)

Compound Name

3-[(2-amino-4-methylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

IUPAC name

3-[(2-amino-4-methylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

SMILES

Cc(cc1)cc(N)c1NC(CC(C1)c2ccco2)=CC1=O

InChI

InChI=1S/C17H18N2O2/c1-11-4-5-16(15(18)7-11)19-13-8-12(9-14(20)10-13)17-3-2-6-21-17/h2-7,10,12,19H,8-9,18H2,1H3/t12-/m0/s1

InChI Key

WAJXUMQZCVYADW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01971599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.00

Polar Surface Area

50.971

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

5236-0009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5236-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0009?
Check Price and Availability of 5236-0009, 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 5236-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0009
  • 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 5236-0009 available by request