6237-0370 Screening compound: 2-[(Z)-1-(1,3-benzodioxol-5-ylamino)methylidene]-6-methyl-1-cyclohexanone

6237-0370 Screening compound: 2-[(Z)-1-(1,3-benzodioxol-5-ylamino)methylidene]-6-methyl-1-cyclohexanone
6237-0370 Screening compound: 2-[(Z)-1-(1,3-benzodioxol-5-ylamino)methylidene]-6-methyl-1-cyclohexanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6237-0370
2-[(Z)-1-(1,3-benzodioxol-5-ylamino)methylidene]-6-methyl-1-cyclohexanone

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

6237-0370

Molecular Formula

C15H17NO3 (C15 H17 NO3)

Compound Name

2-[(Z)-1-(1,3-benzodioxol-5-ylamino)methylidene]-6-methyl-1-cyclohexanone

IUPAC name

(2Z)-2-{[(2H-13-benzodioxol-5-yl)amino]methylidene}-6-methylcyclohexan-1-one

SMILES

CC(CCC/C1=C/Nc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C15H17NO3/c1-10-3-2-4-11(15(10)17)8-16-12-5-6-13-14(7-12)19-9-18-13/h5-8,10,16H,2-4,9H2,1H3/t10-/m0/s1

InChI Key

UHMAKKFDRQVDAF-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04031129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-3.27

Polar Surface Area

42.022

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

6237-0370 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6237-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6237-0370?
Check Price and Availability of 6237-0370, 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 6237-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6237-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6237-0370
  • 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 6237-0370 available by request