E867-0552 Screening compound: 6,8-dimethyl-N-(3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0552 Screening compound: 6,8-dimethyl-N-(3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0552 Screening compound: 6,8-dimethyl-N-(3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0552
6,8-dimethyl-N-(3-{[(pyridin-2-yl)methyl]carbamoyl}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

E867-0552

Molecular Formula

C23H23N5O2S (C23 H23 N5 O2 S)

Compound Name

6,8-dimethyl-N-(3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

68-dimethyl-N-(3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

Cc(cc(C)nc1SCC2)c1N2C(Nc1cc(C(NCc2ncccc2)=O)ccc1)=O

InChI

InChI=1S/C23H23N5O2S/c1-15-12-16(2)26-22-20(15)28(10-11-31-22)23(30)27-18-8-5-6-17(13-18)21(29)25-14-19-7-3-4-9-24-19/h3-9,12-13H,10-11,14H2,1-2H3,(H,25,29)(H,27,30)

InChI Key

WPDCLRPZYNXSIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.73

Polar Surface Area

69.913

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E867-0552 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E867-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0552?
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What is the minimum amount of E867-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0552
  • 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 E867-0552 available by request