0978-8396 Screening compound: (E)-3-(4-ethoxyphenyl)-N~1~-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

0978-8396 Screening compound: (E)-3-(4-ethoxyphenyl)-N~1~-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide
0978-8396 Screening compound: (E)-3-(4-ethoxyphenyl)-N~1~-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8396
(E)-3-(4-ethoxyphenyl)-N~1~-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

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

0978-8396

Molecular Formula

C15H17N3O2S2 (C15 H17 N3 O2 S2)

Compound Name

(E)-3-(4-ethoxyphenyl)-N~1~-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

IUPAC name

(2E)-3-(4-ethoxyphenyl)-N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]prop-2-enamide

SMILES

CCOc1ccc(/C=C/C(Nc2nnc(SCC)s2)=O)cc1

InChI

InChI=1S/C15H17N3O2S2/c1-3-20-12-8-5-11(6-9-12)7-10-13(19)16-14-17-18-15(22-14)21-4-2/h5-10H,3-4H2,1-2H3,(H,16,17,19)

InChI Key

IGJVPEYDXFMRQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.585

Water Solubility, LogSw

-4.20

Polar Surface Area

53.146

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

0978-8396 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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

References: we are preparing a list of scientific research reports with 0978-8396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8396?
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What is the minimum amount of 0978-8396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8396
  • 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 0978-8396 available by request