Y042-2925 Screening compound: 1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

Y042-2925 Screening compound: 1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
Y042-2925 Screening compound: 1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2925
1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

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

Y042-2925

Molecular Formula

C12H13NO3S (C12 H13 NO3 S)

Compound Name

1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

IUPAC name

1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

SMILES

CSc1cc(N(CC(C2)C(O)=O)C2=O)ccc1

InChI

InChI=1S/C12H13NO3S/c1-17-10-4-2-3-9(6-10)13-7-8(12(15)16)5-11(13)14/h2-4,6,8H,5,7H2,1H3,(H,15,16)/t8-/m1/s1

InChI Key

NHDHIMKQGYJLII-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD03988235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.871

Distribution Coefficient, logD

-1.490

Water Solubility, LogSw

-1.99

Polar Surface Area

45.396

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y042-2925 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y042-2925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2925?
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What is the minimum amount of Y042-2925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2925
  • 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 Y042-2925 available by request