Y070-5121 Screening compound: 3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenyl-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

Y070-5121 Screening compound: 3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenyl-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
Y070-5121 Screening compound: 3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenyl-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5121
3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenyl-4-(thiophene-2-carbonyl)-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

Y070-5121

Molecular Formula

C18H13N3O3S3 (C18 H13 N3 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

CSc1nnc(N(C(C(C(c2cccs2)=O)=C2O)c3ccccc3)C2=O)s1

InChI

InChI=1S/C18H13N3O3S3/c1-25-18-20-19-17(27-18)21-13(10-6-3-2-4-7-10)12(15(23)16(21)24)14(22)11-8-5-9-26-11/h2-9,13,23H,1H3/t13-/m1/s1

InChI Key

WHPLRZOLEVFCFE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06783133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.89

Polar Surface Area

67.914

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

Y070-5121 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 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 Y070-5121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5121?
Check Price and Availability of Y070-5121, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y070-5121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5121
  • 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 Y070-5121 available by request