C254-0025 Screening compound: 2-{[(E)-3-phenyl-2-propenyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one

C254-0025 Screening compound: 2-{[(E)-3-phenyl-2-propenyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
C254-0025 Screening compound: 2-{[(E)-3-phenyl-2-propenyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C254-0025
2-{[(E)-3-phenyl-2-propenyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one

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

C254-0025

Molecular Formula

C15H15N3OS2 (C15 H15 N3 OS2)

Compound Name

2-{[(E)-3-phenyl-2-propenyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one

IUPAC name

2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5H6H7H8H-[134]thiadiazolo[32-a][13]diazepin-8-one

SMILES

O=C1N=C2SC(SC/C=C/c3ccccc3)=NN2CCC1

InChI

InChI=1S/C15H15N3OS2/c19-13-9-4-10-18-14(16-13)21-15(17-18)20-11-5-8-12-6-2-1-3-7-12/h1-3,5-8H,4,9-11H2

InChI Key

MDCNZFYLKCQIEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.50

Polar Surface Area

39.647

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

C254-0025 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C254-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C254-0025?
Check Price and Availability of C254-0025, 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 C254-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C254-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C254-0025
  • 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 C254-0025 available by request