E022-0762 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[4-(propan-2-yl)phenyl]propanamide

E022-0762 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[4-(propan-2-yl)phenyl]propanamide
E022-0762 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[4-(propan-2-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0762
2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[4-(propan-2-yl)phenyl]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

E022-0762

Molecular Formula

C19H20N2O2S (C19 H20 N2 O2 S)

Compound Name

2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[4-(propan-2-yl)phenyl]propanamide

IUPAC name

2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)-N-[4-(propan-2-yl)phenyl]propanamide

SMILES

CC(C)c(cc1)ccc1NC(C(C)N1Sc(cccc2)c2C1=O)=O

InChI

InChI=1S/C19H20N2O2S/c1-12(2)14-8-10-15(11-9-14)20-18(22)13(3)21-19(23)16-6-4-5-7-17(16)24-21/h4-13H,1-3H3,(H,20,22)/t13-/m0/s1

InChI Key

DSXABNLKKWTXMU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14840578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.31

Polar Surface Area

39.891

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

E022-0762 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E022-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0762?
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What is the minimum amount of E022-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0762
  • 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 E022-0762 available by request