Y020-5594 Screening compound: 3-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

Y020-5594 Screening compound: 3-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
Y020-5594 Screening compound: 3-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5594
3-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)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

Y020-5594

Molecular Formula

C30H20ClN3O3S (C30 H20 ClN3 O3 S)

Compound Name

3-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Sc2nc(-c3ccccc3)c(cc(cc3)Cl)c3n2)N1c(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C30H20ClN3O3S/c31-20-11-16-25-24(17-20)28(19-7-3-1-4-8-19)33-30(32-25)38-26-18-27(35)34(29(26)36)21-12-14-23(15-13-21)37-22-9-5-2-6-10-22/h1-17,26H,18H2/t26-/m0/s1

InChI Key

IUSNPBLUQBLDIE-SANMLTNESA-N

MDL Number (MFCD)

MFCD03300606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.835

Distribution Coefficient, logD

6.834

Water Solubility, LogSw

-6.52

Polar Surface Area

53.412

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

Y020-5594 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y020-5594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5594?
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What is the minimum amount of Y020-5594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5594
  • 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 Y020-5594 available by request