5408-0495 Screening compound: 1-[(2-chlorophenyl)methyl]-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-one

5408-0495 Screening compound: 1-[(2-chlorophenyl)methyl]-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-one
5408-0495 Screening compound: 1-[(2-chlorophenyl)methyl]-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0495
1-[(2-chlorophenyl)methyl]-5'-phenyl-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

5408-0495

Molecular Formula

C22H16ClN3OS (C22 H16 ClN3 OS)

Compound Name

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

IUPAC name

1-[(2-chlorophenyl)methyl]-5'-phenyl-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-2-one

SMILES

O=C(C12SC(c3ccccc3)=NN1)N(Cc(cccc1)c1Cl)c1c2cccc1

InChI

InChI=1S/C22H16ClN3OS/c23-18-12-6-4-10-16(18)14-26-19-13-7-5-11-17(19)22(21(26)27)25-24-20(28-22)15-8-2-1-3-9-15/h1-13,25H,14H2/t22-/m0/s1

InChI Key

PMADITKBVODKSF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01361024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.359

Water Solubility, LogSw

-5.86

Polar Surface Area

39.168

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

5408-0495 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5408-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0495?
Check Price and Availability of 5408-0495, 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 5408-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0495
  • 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 5408-0495 available by request