K894-0180 Screening compound: 8-[1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

K894-0180 Screening compound: 8-[1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
K894-0180 Screening compound: 8-[1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0180
8-[1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

K894-0180

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

8-[1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[1-(4-methoxyphenyl)-1H-13-benzodiazole-5-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

COc(cc1)ccc1-n1c(ccc(C(N(CC2)CCC22OCCO2)=O)c2)c2nc1

InChI

InChI=1S/C22H23N3O4/c1-27-18-5-3-17(4-6-18)25-15-23-19-14-16(2-7-20(19)25)21(26)24-10-8-22(9-11-24)28-12-13-29-22/h2-7,14-15H,8-13H2,1H3

InChI Key

QANJPAMBIBUEJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.037

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-2.61

Polar Surface Area

49.511

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K894-0180 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K894-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0180?
Check Price and Availability of K894-0180, 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 K894-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0180
  • 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 K894-0180 available by request