E866-0440 Screening compound: 4-{6,8-DIMETHYL-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}-N-(4-METHYLPHENYL)-4-OXOBUTANAMIDE

E866-0440 Screening compound: 4-{6,8-DIMETHYL-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}-N-(4-METHYLPHENYL)-4-OXOBUTANAMIDE
E866-0440 Screening compound: 4-{6,8-DIMETHYL-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}-N-(4-METHYLPHENYL)-4-OXOBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E866-0440
4-{6,8-DIMETHYL-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}-N-(4-METHYLPHENYL)-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

E866-0440

Molecular Formula

C20H23N3O2S (C20 H23 N3 O2 S)

Compound Name

4-{6,8-DIMETHYL-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}-N-(4-METHYLPHENYL)-4-OXOBUTANAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1NC(CCC(N1c2c(C)cc(C)nc2SCC1)=O)=O

InChI

InChI=1S/C20H23N3O2S/c1-13-4-6-16(7-5-13)22-17(24)8-9-18(25)23-10-11-26-20-19(23)14(2)12-15(3)21-20/h4-7,12H,8-11H2,1-3H3,(H,22,24)

InChI Key

GCRXIIXVUKUBCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

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

3.409

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.63

Polar Surface Area

49.757

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E866-0440 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 E866-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E866-0440?
Check Price and Availability of E866-0440, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E866-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E866-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E866-0440
  • 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 E866-0440 available by request