E022-1306 Screening compound: N-[(4-chlorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

E022-1306 Screening compound: N-[(4-chlorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide
E022-1306 Screening compound: N-[(4-chlorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-1306
N-[(4-chlorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

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

E022-1306

Molecular Formula

C18H17ClN2O2S (C18 H17 ClN2 O2 S)

Compound Name

N-[(4-chlorophenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4-(3-oxo-23-dihydro-12-benzothiazol-2-yl)butanamide

SMILES

O=C(CCCN1Sc(cccc2)c2C1=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C18H17ClN2O2S/c19-14-9-7-13(8-10-14)12-20-17(22)6-3-11-21-18(23)15-4-1-2-5-16(15)24-21/h1-2,4-5,7-10H,3,6,11-12H2,(H,20,22)

InChI Key

YMFGVAAKTGFRTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.550

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-3.64

Polar Surface Area

42.077

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E022-1306 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E022-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-1306?
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What is the minimum amount of E022-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-1306
  • 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 E022-1306 available by request