Y040-4798 Screening compound: N-(2-methoxybenzyl)-2-[(methylsulfonyl)amino]-1,3-benzothiazole-6-carboxamide

Y040-4798 Screening compound: N-(2-methoxybenzyl)-2-[(methylsulfonyl)amino]-1,3-benzothiazole-6-carboxamide
Y040-4798 Screening compound: N-(2-methoxybenzyl)-2-[(methylsulfonyl)amino]-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4798
N-(2-methoxybenzyl)-2-[(methylsulfonyl)amino]-1,3-benzothiazole-6-carboxamide

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

Y040-4798

Molecular Formula

C17H17N3O4S2 (C17 H17 N3 O4 S2)

Compound Name

N-(2-methoxybenzyl)-2-[(methylsulfonyl)amino]-1,3-benzothiazole-6-carboxamide

IUPAC name

2-methanesulfonamido-N-[(2-methoxyphenyl)methyl]-13-benzothiazole-6-carboxamide

SMILES

COc1c(CNC(c(cc2)cc3c2nc(NS(C)(=O)=O)s3)=O)cccc1

InChI

InChI=1S/C17H17N3O4S2/c1-24-14-6-4-3-5-12(14)10-18-16(21)11-7-8-13-15(9-11)25-17(19-13)20-26(2,22)23/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)

InChI Key

CGIDKNGOIIHKBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12200302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-3.54

Polar Surface Area

83.911

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with Y040-4798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4798?
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What is the minimum amount of Y040-4798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4798
  • 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 Y040-4798 available by request