E867-0516 Screening compound: N-(3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0516 Screening compound: N-(3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0516 Screening compound: N-(3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0516
N-(3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

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

E867-0516

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

N-(3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

N-(3-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenyl)-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

O=C(c1cccc(NC(N2c3cccnc3SCC2)=O)c1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C22H24N4O4S/c27-20(25-9-6-22(7-10-25)29-12-13-30-22)16-3-1-4-17(15-16)24-21(28)26-11-14-31-19-18(26)5-2-8-23-19/h1-5,8,15H,6-7,9-14H2,(H,24,28)

InChI Key

JDVLOBUMOWAGIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.740

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-2.57

Polar Surface Area

66.510

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E867-0516 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E867-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0516?
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What is the minimum amount of E867-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0516
  • 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 E867-0516 available by request