K781-3386 Screening compound: ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamido)piperidine-1-carboxylate

K781-3386 Screening compound: ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamido)piperidine-1-carboxylate
K781-3386 Screening compound: ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-3386
ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamido)piperidine-1-carboxylate

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

K781-3386

Molecular Formula

C22H30FN3O7S (C22 H30 FN3 O7 S)

Compound Name

ethyl 4-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(5-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-fluorobenzamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc(cc1)S(N(CC2)CCC22OCCO2)(=O)=O)c1F)=O)=O

InChI

InChI=1S/C22H30FN3O7S/c1-2-31-21(28)25-9-5-16(6-10-25)24-20(27)18-15-17(3-4-19(18)23)34(29,30)26-11-7-22(8-12-26)32-13-14-33-22/h3-4,15-16H,2,5-14H2,1H3,(H,24,27)

InChI Key

YQWDZYZWLMFXOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.225

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-2.98

Polar Surface Area

93.305

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

K781-3386 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-3386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-3386?
Check Price and Availability of K781-3386, 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 K781-3386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-3386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-3386
  • 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 K781-3386 available by request