Y020-1345 Screening compound: 3'-(4-methoxyphenyl)-4,4,6,8-tetramethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione

Y020-1345 Screening compound: 3'-(4-methoxyphenyl)-4,4,6,8-tetramethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione
Y020-1345 Screening compound: 3'-(4-methoxyphenyl)-4,4,6,8-tetramethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1345
3'-(4-methoxyphenyl)-4,4,6,8-tetramethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione

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

Y020-1345

Molecular Formula

C24H24N2O3S (C24 H24 N2 O3 S)

Compound Name

3'-(4-methoxyphenyl)-4,4,6,8-tetramethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

3-(4-methoxyphenyl)-5'5'7'10'-tetramethyl-4'-azaspiro[13-thiazolidine-22'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')6'8'(12')9'-tetraene-3'4-dione

SMILES

CC1(C)N(C(C2(N3c(cc4)ccc4OC)SCC3=O)=O)c3c2cc(C)cc3C(C)=C1

InChI

InChI=1S/C24H24N2O3S/c1-14-10-18-15(2)12-23(3,4)26-21(18)19(11-14)24(22(26)28)25(20(27)13-30-24)16-6-8-17(29-5)9-7-16/h6-12H,13H2,1-5H3/t24-/m0/s1

InChI Key

PQYDADHXWCGZCI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06608106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.52

Polar Surface Area

39.565

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y020-1345 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Macl-GPIb alpha Interaction Library (22969 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

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y020-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1345?
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What is the minimum amount of Y020-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1345
  • 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 Y020-1345 available by request