Y010-1336 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione

Y010-1336 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
Y010-1336 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1336
1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]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

Y010-1336

Molecular Formula

C18H13ClN2O2S (C18 H13 ClN2 O2 S)

Compound Name

1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione

IUPAC name

1-(13-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-25-dione

SMILES

O=C(CC(Cc(cc1)ccc1Cl)C1=O)N1c1nc(cccc2)c2s1

InChI

InChI=1S/C18H13ClN2O2S/c19-13-7-5-11(6-8-13)9-12-10-16(22)21(17(12)23)18-20-14-3-1-2-4-15(14)24-18/h1-8,12H,9-10H2/t12-/m0/s1

InChI Key

ZLBZRCBDQAZUDB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03719988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.62

Polar Surface Area

38.693

Acid Dissociation Constant (pKa)

18.03

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

Y010-1336 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y010-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1336?
Check Price and Availability of Y010-1336, 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 Y010-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1336
  • 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 Y010-1336 available by request