5174-3019 Screening compound: (2E)-3-(3-bromo-4-methoxyphenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

5174-3019 Screening compound: (2E)-3-(3-bromo-4-methoxyphenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide
5174-3019 Screening compound: (2E)-3-(3-bromo-4-methoxyphenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5174-3019
(2E)-3-(3-bromo-4-methoxyphenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

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

5174-3019

Molecular Formula

C18H15BrN2O4S2 (C18 H15 BrN2 O4 S2)

Compound Name

(2E)-3-(3-bromo-4-methoxyphenyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

IUPAC name

(2E)-3-(3-bromo-4-methoxyphenyl)-N-(6-methanesulfonyl-13-benzothiazol-2-yl)prop-2-enamide

SMILES

COc(ccc(/C=C/C(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O)c1)c1Br

InChI

InChI=1S/C18H15BrN2O4S2/c1-25-15-7-3-11(9-13(15)19)4-8-17(22)21-18-20-14-6-5-12(27(2,23)24)10-16(14)26-18/h3-10H,1-2H3,(H,20,21,22)

InChI Key

POWNMVMAWLRUOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02965395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-4.13

Polar Surface Area

70.257

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5174-3019 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5174-3019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5174-3019?
Check Price and Availability of 5174-3019, 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 5174-3019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5174-3019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5174-3019
  • 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 5174-3019 available by request