K678-0550 Screening compound: N-(2,5-difluorophenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-[(3-methoxypropyl)amino]benzene-1-sulfonamide

K678-0550 Screening compound: N-(2,5-difluorophenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-[(3-methoxypropyl)amino]benzene-1-sulfonamide
K678-0550 Screening compound: N-(2,5-difluorophenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-[(3-methoxypropyl)amino]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K678-0550
N-(2,5-difluorophenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-[(3-methoxypropyl)amino]benzene-1-sulfonamide

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

K678-0550

Molecular Formula

C24H29F2N3O6S (C24 H29 F2 N3 O6 S)

Compound Name

N-(2,5-difluorophenyl)-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-[(3-methoxypropyl)amino]benzene-1-sulfonamide

IUPAC name

N-(25-difluorophenyl)-5-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-[(3-methoxypropyl)amino]benzene-1-sulfonamide

SMILES

COCCCNc(ccc(C(N(CC1)CCC11OCCO1)=O)c1)c1S(Nc(cc(cc1)F)c1F)(=O)=O

InChI

InChI=1S/C24H29F2N3O6S/c1-33-12-2-9-27-20-6-3-17(23(30)29-10-7-24(8-11-29)34-13-14-35-24)15-22(20)36(31,32)28-21-16-18(25)4-5-19(21)26/h3-6,15-16,27-28H,2,7-14H2,1H3

InChI Key

YVJIEHFJNJDJSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.048

Distribution Coefficient, logD

-1.052

Water Solubility, LogSw

-2.93

Polar Surface Area

89.268

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

K678-0550 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K678-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K678-0550?
Check Price and Availability of K678-0550, 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 K678-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K678-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K678-0550
  • 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 K678-0550 available by request