P107-0050 Screening compound: (2E)-N-{[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl}-3-(thiophen-2-yl)prop-2-enamide

P107-0050 Screening compound: (2E)-N-{[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl}-3-(thiophen-2-yl)prop-2-enamide
P107-0050 Screening compound: (2E)-N-{[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl}-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P107-0050
(2E)-N-{[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl}-3-(thiophen-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

P107-0050

Molecular Formula

C18H16N2OS2 (C18 H16 N2 OS2)

Compound Name

(2E)-N-{[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl}-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-N-{[4-(4-methyl-13-thiazol-2-yl)phenyl]methyl}-3-(thiophen-2-yl)prop-2-enamide

SMILES

Cc1csc(-c2ccc(CNC(/C=C/c3cccs3)=O)cc2)n1

InChI

InChI=1S/C18H16N2OS2/c1-13-12-23-18(20-13)15-6-4-14(5-7-15)11-19-17(21)9-8-16-3-2-10-22-16/h2-10,12H,11H2,1H3,(H,19,21)

InChI Key

LATBBZSFRBXXDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-3.95

Polar Surface Area

34.997

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

P107-0050 in Drug Discovery

Included in Screening Libraries

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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with P107-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P107-0050?
Check Price and Availability of P107-0050, 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 P107-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P107-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P107-0050
  • 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 P107-0050 available by request