E866-0392 Screening compound: 4-(6,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-N-(tetrahydro-2-furanylmethyl)butanamide

E866-0392 Screening compound: 4-(6,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-N-(tetrahydro-2-furanylmethyl)butanamide
E866-0392 Screening compound: 4-(6,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-N-(tetrahydro-2-furanylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E866-0392
4-(6,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-N-(tetrahydro-2-furanylmethyl)butanamide

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

E866-0392

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

4-(6,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-N-(tetrahydro-2-furanylmethyl)butanamide

IUPAC name

4-{68-dimethyl-1H2H3H-pyrido[23-b][14]thiazin-1-yl}-4-oxo-N-[(oxolan-2-yl)methyl]butanamide

SMILES

Cc(cc(C)nc1SCC2)c1N2C(CCC(NCC1OCCC1)=O)=O

InChI

InChI=1S/C18H25N3O3S/c1-12-10-13(2)20-18-17(12)21(7-9-25-18)16(23)6-5-15(22)19-11-14-4-3-8-24-14/h10,14H,3-9,11H2,1-2H3,(H,19,22)/t14-/m1/s1

InChI Key

MKWVGDJMUZTUFY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27603177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.142

Distribution Coefficient, logD

1.141

Water Solubility, LogSw

-2.04

Polar Surface Area

59.734

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

E866-0392 in Drug Discovery

Included in Screening Libraries

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

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

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E866-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E866-0392?
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What is the minimum amount of E866-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E866-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E866-0392
  • 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 E866-0392 available by request