5408-0428 Screening compound: 5'-(2-hydroxyphenyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-one

5408-0428 Screening compound: 5'-(2-hydroxyphenyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-one
5408-0428 Screening compound: 5'-(2-hydroxyphenyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0428
5'-(2-hydroxyphenyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-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

5408-0428

Molecular Formula

C15H11N3O2S (C15 H11 N3 O2 S)

Compound Name

5'-(2-hydroxyphenyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-one

IUPAC name

5'-(2-hydroxyphenyl)-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-2-one

SMILES

Oc(cccc1)c1C1=NNC(c(cccc2)c2N2)(C2=O)S1

InChI

InChI=1S/C15H11N3O2S/c19-12-8-4-1-5-9(12)13-17-18-15(21-13)10-6-2-3-7-11(10)16-14(15)20/h1-8,18-19H,(H,16,20)/t15-/m0/s1

InChI Key

RNFUTSZNDACRPE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00413580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.36

Polar Surface Area

65.491

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

5408-0428 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 5408-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0428?
Check Price and Availability of 5408-0428, 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 5408-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0428
  • 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 5408-0428 available by request