E539-0469 Screening compound: 4-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide

E539-0469 Screening compound: 4-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide
E539-0469 Screening compound: 4-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E539-0469
4-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]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

E539-0469

Molecular Formula

C18H20N2O2S2 (C18 H20 N2 O2 S2)

Compound Name

4-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide

IUPAC name

4-(2-methyl-34-dihydro-2H-14-benzothiazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide

SMILES

CC(C1)Sc(cccc2)c2N1C(CCC(NCc1cccs1)=O)=O

InChI

InChI=1S/C18H20N2O2S2/c1-13-12-20(15-6-2-3-7-16(15)24-13)18(22)9-8-17(21)19-11-14-5-4-10-23-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,21)/t13-/m0/s1

InChI Key

MNDLJFKWTJTDMR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14897153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.42

Polar Surface Area

40.447

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E539-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E539-0469?
Check Price and Availability of E539-0469, 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 E539-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E539-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E539-0469
  • 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 E539-0469 available by request