Y020-5646 Screening compound: 3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

Y020-5646 Screening compound: 3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Y020-5646 Screening compound: 3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5646
3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-yl]-1-[3-(trifluoromethyl)phenyl]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

Y020-5646

Molecular Formula

C18H13F3N4O2S (C18 H13 F3 N4 O2 S)

Compound Name

3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

IUPAC name

3-[2-(13-benzothiazol-2-yl)hydrazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NNc2nc(cccc3)c3s2)N1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H13F3N4O2S/c19-18(20,21)10-4-3-5-11(8-10)25-15(26)9-13(16(25)27)23-24-17-22-12-6-1-2-7-14(12)28-17/h1-8,13,23H,9H2,(H,22,24)/t13-/m0/s1

InChI Key

FCPDBQXAYNNPSS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03288887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.37

Polar Surface Area

63.275

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

Y020-5646 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-5646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5646?
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What is the minimum amount of Y020-5646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5646
  • 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 Y020-5646 available by request