E628-0935 Screening compound: methyl 4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate

E628-0935 Screening compound: methyl 4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate
E628-0935 Screening compound: methyl 4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-0935
methyl 4-[(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

E628-0935

Molecular Formula

C17H16N2O3S (C17 H16 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(N1c(cccc2)c2SCC1)=O)=O

InChI

InChI=1S/C17H16N2O3S/c1-22-16(20)12-6-8-13(9-7-12)18-17(21)19-10-11-23-15-5-3-2-4-14(15)19/h2-9H,10-11H2,1H3,(H,18,21)

InChI Key

ZRQRIXZXPDYQNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.97

Polar Surface Area

45.546

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E628-0935 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E628-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-0935?
Check Price and Availability of E628-0935, 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 E628-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-0935
  • 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 E628-0935 available by request