E628-1000 Screening compound: methyl 4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate

E628-1000 Screening compound: methyl 4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate
E628-1000 Screening compound: methyl 4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-1000
methyl 4-[(2-methyl-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

E628-1000

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)Sc(cccc2)c2N1C(Nc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C18H18N2O3S/c1-12-11-20(15-5-3-4-6-16(15)24-12)18(22)19-14-9-7-13(8-10-14)17(21)23-2/h3-10,12H,11H2,1-2H3,(H,19,22)/t12-/m0/s1

InChI Key

LTKWUQWODMBJCP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14905249

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.193

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.26

Polar Surface Area

45.479

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E628-1000 in Drug Discovery

Included in Screening Libraries

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 E628-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-1000?
Check Price and Availability of E628-1000, 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 E628-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-1000
  • 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 E628-1000 available by request