Y070-5124 Screening compound: 3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrol-2-one

Y070-5124 Screening compound: 3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrol-2-one
Y070-5124 Screening compound: 3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5124
3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrol-2-one

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

Y070-5124

Molecular Formula

C20H17N3O4S2 (C20 H17 N3 O4 S2)

Compound Name

3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-methylphenyl)-1-[5-(methylsulfanyl)-134-thiadiazol-2-yl]-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1ccc(C(C(C(c2ccc(C)cc2)N(C2=O)c3nnc(SC)s3)=C2O)=O)o1

InChI

InChI=1S/C20H17N3O4S2/c1-10-4-7-12(8-5-10)15-14(16(24)13-9-6-11(2)27-13)17(25)18(26)23(15)19-21-22-20(28-3)29-19/h4-9,15,25H,1-3H3/t15-/m1/s1

InChI Key

KNWRADJWCACUPH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06774047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.95

Polar Surface Area

74.988

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y070-5124 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y070-5124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5124?
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What is the minimum amount of Y070-5124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5124
  • 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 Y070-5124 available by request