K699-0071 Screening compound: 3-{[(4-chloro-2,5-dimethoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione

K699-0071 Screening compound: 3-{[(4-chloro-2,5-dimethoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
K699-0071 Screening compound: 3-{[(4-chloro-2,5-dimethoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K699-0071
3-{[(4-chloro-2,5-dimethoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-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

K699-0071

Molecular Formula

C18H20ClNO6 (C18 H20 ClNO6)

Compound Name

3-{[(4-chloro-2,5-dimethoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione

IUPAC name

3-{[(4-chloro-25-dimethoxyphenyl)amino]methylidene}-15-dioxaspiro[5.5]undecane-24-dione

SMILES

COc(c(NC=C(C(OC1(CCCCC1)O1)=O)C1=O)c1)cc(Cl)c1OC

InChI

InChI=1S/C18H20ClNO6/c1-23-14-9-13(15(24-2)8-12(14)19)20-10-11-16(21)25-18(26-17(11)22)6-4-3-5-7-18/h8-10,20H,3-7H2,1-2H3

InChI Key

VYDABPQJIKALCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

0.046

Water Solubility, LogSw

-3.45

Polar Surface Area

66.493

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K699-0071 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K699-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K699-0071?
Check Price and Availability of K699-0071, 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 K699-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K699-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K699-0071
  • 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 K699-0071 available by request