E022-1519 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

E022-1519 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide
E022-1519 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-1519
N-[(5-bromo-2-methoxyphenyl)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

E022-1519

Molecular Formula

C19H19BrN2O3S (C19 H19 BrN2 O3 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-23-dihydro-12-benzothiazol-2-yl)butanamide

SMILES

COc(cc1)c(CNC(CCCN2Sc(cccc3)c3C2=O)=O)cc1Br

InChI

InChI=1S/C19H19BrN2O3S/c1-25-16-9-8-14(20)11-13(16)12-21-18(23)7-4-10-22-19(24)15-5-2-3-6-17(15)26-22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,23)

InChI Key

PCWWUPDAFMTZTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.49

Polar Surface Area

49.707

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E022-1519 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E022-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-1519?
Check Price and Availability of E022-1519, 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 E022-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-1519
  • 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 E022-1519 available by request