Y020-0448 Screening compound: 1-(3,4-dichlorophenyl)-3-{[5-(phenylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}pyrrolidine-2,5-dione

Y020-0448 Screening compound: 1-(3,4-dichlorophenyl)-3-{[5-(phenylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}pyrrolidine-2,5-dione
Y020-0448 Screening compound: 1-(3,4-dichlorophenyl)-3-{[5-(phenylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0448
1-(3,4-dichlorophenyl)-3-{[5-(phenylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}pyrrolidine-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

Y020-0448

Molecular Formula

C18H12Cl2N4O2S2 (C18 H12 Cl2 N4 O2 S2)

Compound Name

1-(3,4-dichlorophenyl)-3-{[5-(phenylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}pyrrolidine-2,5-dione

IUPAC name

1-(34-dichlorophenyl)-3-{[5-(phenylamino)-134-thiadiazol-2-yl]sulfanyl}pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Sc2nnc(Nc3ccccc3)s2)N1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C18H12Cl2N4O2S2/c19-12-7-6-11(8-13(12)20)24-15(25)9-14(16(24)26)27-18-23-22-17(28-18)21-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,21,22)/t14-/m1/s1

InChI Key

BNRQSSDIKPKKPI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03488196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-5.20

Polar Surface Area

60.976

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

Y020-0448 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 Y020-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0448?
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What is the minimum amount of Y020-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0448
  • 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 Y020-0448 available by request