E022-0726 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

E022-0726 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide
E022-0726 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0726
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

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

E022-0726

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)propanamide

SMILES

CC(C(NCc(cc1)cc2c1OCO2)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C18H16N2O4S/c1-11(20-18(22)13-4-2-3-5-16(13)25-20)17(21)19-9-12-6-7-14-15(8-12)24-10-23-14/h2-8,11H,9-10H2,1H3,(H,19,21)/t11-/m0/s1

InChI Key

NRYOFUUGWRIDII-NSHDSACASA-N

MDL Number (MFCD)

MFCD14840561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-3.05

Polar Surface Area

58.328

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E022-0726 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E022-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0726?
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What is the minimum amount of E022-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0726
  • 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 E022-0726 available by request