K699-0078 Screening compound: 3-{[(2-fluoro-5-nitrophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione

K699-0078 Screening compound: 3-{[(2-fluoro-5-nitrophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
K699-0078 Screening compound: 3-{[(2-fluoro-5-nitrophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K699-0078
3-{[(2-fluoro-5-nitrophenyl)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

K699-0078

Molecular Formula

C16H15FN2O6 (C16 H15 FN2 O6)

Compound Name

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

IUPAC name

3-{[(2-fluoro-5-nitrophenyl)amino]methylidene}-15-dioxaspiro[5.5]undecane-24-dione

SMILES

[O-][N+](c(cc1)cc(NC=C(C(OC2(CCCCC2)O2)=O)C2=O)c1F)=O

InChI

InChI=1S/C16H15FN2O6/c17-12-5-4-10(19(22)23)8-13(12)18-9-11-14(20)24-16(25-15(11)21)6-2-1-3-7-16/h4-5,8-9,18H,1-3,6-7H2

InChI Key

GZPLTYRDINPSDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.742

Distribution Coefficient, logD

-0.668

Water Solubility, LogSw

-3.33

Polar Surface Area

84.614

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K699-0078 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

?ysteine Targeted Covalent Library (39471 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 K699-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K699-0078?
Check Price and Availability of K699-0078, 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 K699-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K699-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K699-0078
  • 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 K699-0078 available by request