Y042-3725 Screening compound: N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide

Y042-3725 Screening compound: N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide
Y042-3725 Screening compound: N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3725
N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]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

Y042-3725

Molecular Formula

C17H13N5O4S2 (C17 H13 N5 O4 S2)

Compound Name

N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)acetamide

SMILES

CS(c(cc1)cc2c1nc(NC(CN1N=Nc(cccc3)c3C1=O)=O)s2)(=O)=O

InChI

InChI=1S/C17H13N5O4S2/c1-28(25,26)10-6-7-13-14(8-10)27-17(18-13)19-15(23)9-22-16(24)11-4-2-3-5-12(11)20-21-22/h2-8H,9H2,1H3,(H,18,19,23)

InChI Key

NVIHCAHYCKHCOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12211713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.891

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-3.13

Polar Surface Area

103.592

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with Y042-3725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3725?
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What is the minimum amount of Y042-3725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3725
  • 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 Y042-3725 available by request