Y020-0452 Screening compound: 3-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

Y020-0452 Screening compound: 3-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
Y020-0452 Screening compound: 3-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0452
3-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-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

Y020-0452

Molecular Formula

C19H14ClN3O2S3 (C19 H14 ClN3 O2 S3)

Compound Name

3-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

IUPAC name

3-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)sulfanyl]-1-phenylpyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Sc2nnc(SCc(cc3)ccc3Cl)s2)N1c1ccccc1

InChI

InChI=1S/C19H14ClN3O2S3/c20-13-8-6-12(7-9-13)11-26-18-21-22-19(28-18)27-15-10-16(24)23(17(15)25)14-4-2-1-3-5-14/h1-9,15H,10-11H2/t15-/m0/s1

InChI Key

YXQJVRBGKDAAOF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03490209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.026

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.55

Polar Surface Area

51.112

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

Y020-0452 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0452?
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What is the minimum amount of Y020-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0452
  • 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 Y020-0452 available by request