0978-8417 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide

0978-8417 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide
0978-8417 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8417
(2E)-N-(1,3-benzothiazol-2-yl)-3-[4-(octyloxy)phenyl]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

0978-8417

Molecular Formula

C24H28N2O2S (C24 H28 N2 O2 S)

Compound Name

(2E)-N-(1,3-benzothiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide

IUPAC name

(2E)-N-(13-benzothiazol-2-yl)-3-[4-(octyloxy)phenyl]prop-2-enamide

SMILES

CCCCCCCCOc1ccc(/C=C/C(Nc2nc(cccc3)c3s2)=O)cc1

InChI

InChI=1S/C24H28N2O2S/c1-2-3-4-5-6-9-18-28-20-15-12-19(13-16-20)14-17-23(27)26-24-25-21-10-7-8-11-22(21)29-24/h7-8,10-17H,2-6,9,18H2,1H3,(H,25,26,27)

InChI Key

HSVSBPRBAMJVAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.116

Distribution Coefficient, logD

8.116

Water Solubility, LogSw

-5.79

Polar Surface Area

40.295

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0978-8417 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0978-8417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8417?
Check Price and Availability of 0978-8417, 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 0978-8417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8417
  • 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 0978-8417 available by request