E628-0907 Screening compound: ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate

E628-0907 Screening compound: ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate
E628-0907 Screening compound: ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-0907
ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate

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

E628-0907

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate

IUPAC name

ethyl 2-[(34-dihydro-2H-14-benzothiazine-4-carbonyl)amino]benzoate

SMILES

CCOC(c(cccc1)c1NC(N1c(cccc2)c2SCC1)=O)=O

InChI

InChI=1S/C18H18N2O3S/c1-2-23-17(21)13-7-3-4-8-14(13)19-18(22)20-11-12-24-16-10-6-5-9-15(16)20/h3-10H,2,11-12H2,1H3,(H,19,22)

InChI Key

WYAUBWXUDPKDNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

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

4.242

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.11

Polar Surface Area

44.428

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E628-0907 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E628-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-0907?
Check Price and Availability of E628-0907, 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 E628-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-0907
  • 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 E628-0907 available by request