0831-0040 Screening compound: (2E)-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

0831-0040 Screening compound: (2E)-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
0831-0040 Screening compound: (2E)-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0040
(2E)-N-[4-(naphthalen-1-yl)-1,3-thiazol-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

0831-0040

Molecular Formula

C22H16N2OS (C22 H16 N2 OS)

Compound Name

(2E)-N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[4-(naphthalen-1-yl)-13-thiazol-2-yl]-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1

InChI

InChI=1S/C22H16N2OS/c25-21(14-13-16-7-2-1-3-8-16)24-22-23-20(15-26-22)19-12-6-10-17-9-4-5-11-18(17)19/h1-15H,(H,23,24,25)

InChI Key

YBDKBYMSGKTOBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.049

Distribution Coefficient, logD

6.049

Water Solubility, LogSw

-7.02

Polar Surface Area

32.619

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0831-0040 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0831-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0040?
Check Price and Availability of 0831-0040, 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 0831-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0040
  • 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 0831-0040 available by request