E628-0992 Screening compound: ethyl 2-{4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate

E628-0992 Screening compound: ethyl 2-{4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate
E628-0992 Screening compound: ethyl 2-{4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-0992
ethyl 2-{4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate

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

E628-0992

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

ethyl 2-{4-[(2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate

IUPAC name

ethyl 2-{4-[(2-methyl-34-dihydro-2H-14-benzothiazine-4-carbonyl)amino]phenyl}acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N1c(cccc2)c2SC(C)C1)=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-3-25-19(23)12-15-8-10-16(11-9-15)21-20(24)22-13-14(2)26-18-7-5-4-6-17(18)22/h4-11,14H,3,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1

InChI Key

WKFVUKNFLMNYHK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14905242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.08

Polar Surface Area

44.464

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E628-0992 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E628-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-0992?
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What is the minimum amount of E628-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-0992
  • 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 E628-0992 available by request