E866-0408 Screening compound: 4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

E866-0408 Screening compound: 4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
E866-0408 Screening compound: 4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E866-0408
4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

E866-0408

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

IUPAC name

4-{68-dimethyl-1H2H3H-pyrido[23-b][14]thiazin-1-yl}-4-oxo-N-(1234-tetrahydronaphthalen-1-yl)butanamide

SMILES

Cc(cc(C)nc1SCC2)c1N2C(CCC(NC(CCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C23H27N3O2S/c1-15-14-16(2)24-23-22(15)26(12-13-29-23)21(28)11-10-20(27)25-19-9-5-7-17-6-3-4-8-18(17)19/h3-4,6,8,14,19H,5,7,9-13H2,1-2H3,(H,25,27)/t19-/m0/s1

InChI Key

JACYEUNKZUTRSG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14924564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-3.74

Polar Surface Area

50.923

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

E866-0408 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)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E866-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E866-0408?
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What is the minimum amount of E866-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E866-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E866-0408
  • 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 E866-0408 available by request