Y020-5622 Screening compound: 2-[(diethylcarbamothioyl)sulfanyl]-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide

Y020-5622 Screening compound: 2-[(diethylcarbamothioyl)sulfanyl]-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide
Y020-5622 Screening compound: 2-[(diethylcarbamothioyl)sulfanyl]-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5622
2-[(diethylcarbamothioyl)sulfanyl]-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

Y020-5622

Molecular Formula

C15H17N3O2S3 (C15 H17 N3 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(SCC(/N=C(/N1)\Sc(cccc2)c2C1=O)=O)=S

InChI

InChI=1S/C15H17N3O2S3/c1-3-18(4-2)15(21)22-9-12(19)16-14-17-13(20)10-7-5-6-8-11(10)23-14/h5-8H,3-4,9H2,1-2H3,(H,16,17,19,20)

InChI Key

AQQWLZDKIOJRRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

0.316

Water Solubility, LogSw

-2.97

Polar Surface Area

49.128

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y020-5622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5622?
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What is the minimum amount of Y020-5622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5622
  • 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 Y020-5622 available by request