Y020-5621 Screening compound: 2-chloro-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide

Y020-5621 Screening compound: 2-chloro-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide
Y020-5621 Screening compound: 2-chloro-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5621
2-chloro-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide

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

Y020-5621

Molecular Formula

C10H7ClN2O2S (C10 H7 ClN2 O2 S)

Compound Name

2-chloro-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide

IUPAC name

2-chloro-N-[(2Z)-4-oxo-34-dihydro-2H-13-benzothiazin-2-ylidene]acetamide

SMILES

O=C(CCl)/N=C(/N1)\Sc(cccc2)c2C1=O

InChI

InChI=1S/C10H7ClN2O2S/c11-5-8(14)12-10-13-9(15)6-3-1-2-4-7(6)16-10/h1-4H,5H2,(H,12,13,14,15)

InChI Key

ZIWFIWVISNDNCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03294302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.033

Distribution Coefficient, logD

-1.748

Water Solubility, LogSw

-2.31

Polar Surface Area

47.024

Acid Dissociation Constant (pKa)

4.62

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y020-5621 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y020-5621 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-5621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5621
  • 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 Y020-5621 available by request