F048-0656 Screening compound: (2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-phenylprop-2-enamide

F048-0656 Screening compound: (2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-phenylprop-2-enamide
F048-0656 Screening compound: (2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F048-0656
(2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-phenylprop-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

F048-0656

Molecular Formula

C22H21N3OS (C22 H21 N3 OS)

Compound Name

(2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{5-benzyl-4H5H6H7H-[13]thiazolo[54-c]pyridin-2-yl}-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc1nc(CCN(Cc2ccccc2)C2)c2s1

InChI

InChI=1S/C22H21N3OS/c26-21(12-11-17-7-3-1-4-8-17)24-22-23-19-13-14-25(16-20(19)27-22)15-18-9-5-2-6-10-18/h1-12H,13-16H2,(H,23,24,26)

InChI Key

UVWRTSYVJQDFRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06585505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.74

Polar Surface Area

38.058

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F048-0656 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with F048-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F048-0656?
Check Price and Availability of F048-0656, 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 F048-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F048-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F048-0656
  • 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 F048-0656 available by request