K699-0027 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

K699-0027 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
K699-0027 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K699-0027
5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

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

K699-0027

Molecular Formula

C14H13NO6 (C14 H13 NO6)

Compound Name

5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

IUPAC name

5-{[(2H-13-benzodioxol-5-yl)amino]methylidene}-22-dimethyl-13-dioxane-46-dione

SMILES

CC(C)(OC(C1=CNc(cc2)cc3c2OCO3)=O)OC1=O

InChI

InChI=1S/C14H13NO6/c1-14(2)20-12(16)9(13(17)21-14)6-15-8-3-4-10-11(5-8)19-7-18-10/h3-6,15H,7H2,1-2H3

InChI Key

HXEOGNQVOPBZRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00245136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

1.255

Water Solubility, LogSw

-2.09

Polar Surface Area

70.161

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K699-0027 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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 K699-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K699-0027?
Check Price and Availability of K699-0027, 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 K699-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K699-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K699-0027
  • 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 K699-0027 available by request