Y020-0337 Screening compound: 1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione

Y020-0337 Screening compound: 1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione
Y020-0337 Screening compound: 1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0337
1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-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

Y020-0337

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione

IUPAC name

1-(23-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}pyrrolidine-25-dione

SMILES

Cc1cccc(N(C(CC2Sc3nnc(-c(cc4)ccc4OC)[nH]3)=O)C2=O)c1C

InChI

InChI=1S/C21H20N4O3S/c1-12-5-4-6-16(13(12)2)25-18(26)11-17(20(25)27)29-21-22-19(23-24-21)14-7-9-15(28-3)10-8-14/h4-10,17H,11H2,1-3H3,(H,22,23,24)/t17-/m0/s1

InChI Key

ISZTYBAUNHWEJK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03300235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

1.712

Water Solubility, LogSw

-3.30

Polar Surface Area

68.907

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

Y020-0337 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y020-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0337?
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What is the minimum amount of Y020-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0337
  • 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 Y020-0337 available by request