E866-0590 Screening compound: 4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[(5-methylfuran-2-yl)methyl]-4-oxobutanamide

E866-0590 Screening compound: 4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[(5-methylfuran-2-yl)methyl]-4-oxobutanamide
E866-0590 Screening compound: 4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[(5-methylfuran-2-yl)methyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E866-0590
4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[(5-methylfuran-2-yl)methyl]-4-oxobutanamide

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

E866-0590

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-N-[(5-methylfuran-2-yl)methyl]-4-oxobutanamide

IUPAC name

4-{68-dimethyl-1H2H3H-pyrido[23-b][14]thiazin-1-yl}-N-[(5-methylfuran-2-yl)methyl]-4-oxobutanamide

SMILES

Cc1ccc(CNC(CCC(N2c3c(C)cc(C)nc3SCC2)=O)=O)o1

InChI

InChI=1S/C19H23N3O3S/c1-12-10-13(2)21-19-18(12)22(8-9-26-19)17(24)7-6-16(23)20-11-15-5-4-14(3)25-15/h4-5,10H,6-9,11H2,1-3H3,(H,20,23)

InChI Key

NYNZMTBFLBRCMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

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

2.744

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.00

Polar Surface Area

58.342

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E866-0590 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E866-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E866-0590?
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What is the minimum amount of E866-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E866-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E866-0590
  • 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 E866-0590 available by request