K699-0079 Screening compound: 3-{[(3-acetylphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione

K699-0079 Screening compound: 3-{[(3-acetylphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
K699-0079 Screening compound: 3-{[(3-acetylphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K699-0079
3-{[(3-acetylphenyl)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

K699-0079

Molecular Formula

C18H19NO5 (C18 H19 NO5)

Compound Name

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

IUPAC name

3-{[(3-acetylphenyl)amino]methylidene}-15-dioxaspiro[5.5]undecane-24-dione

SMILES

CC(c1cccc(NC=C(C(OC2(CCCCC2)O2)=O)C2=O)c1)=O

InChI

InChI=1S/C18H19NO5/c1-12(20)13-6-5-7-14(10-13)19-11-15-16(21)23-18(24-17(15)22)8-3-2-4-9-18/h5-7,10-11,19H,2-4,8-9H2,1H3

InChI Key

KEWQCDZCLVWXQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.83

Polar Surface Area

65.757

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K699-0079 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K699-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K699-0079?
Check Price and Availability of K699-0079, 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 K699-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K699-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K699-0079
  • 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 K699-0079 available by request