Y070-3994 Screening compound: 4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one

Y070-3994 Screening compound: 4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Y070-3994 Screening compound: 4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3994
4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(thiophen-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

Y070-3994

Molecular Formula

C24H17N3O3S3 (C24 H17 N3 O3 S3)

Compound Name

4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-1-[5-(benzylsulfanyl)-134-thiadiazol-2-yl]-3-hydroxy-5-(thiophen-2-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

OC(C(N(C1c2cccs2)c2nnc(SCc3ccccc3)s2)=O)=C1C(c1ccccc1)=O

InChI

InChI=1S/C24H17N3O3S3/c28-20(16-10-5-2-6-11-16)18-19(17-12-7-13-31-17)27(22(30)21(18)29)23-25-26-24(33-23)32-14-15-8-3-1-4-9-15/h1-13,19,29H,14H2/t19-/m0/s1

InChI Key

RQACLRBIPJVCTE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03519800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.34

Polar Surface Area

67.642

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

Y070-3994 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y070-3994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3994?
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What is the minimum amount of Y070-3994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3994
  • 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 Y070-3994 available by request