D034-0242 Screening compound: N~1~-benzyl-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

D034-0242 Screening compound: N~1~-benzyl-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide
D034-0242 Screening compound: N~1~-benzyl-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0242
N~1~-benzyl-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

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

D034-0242

Molecular Formula

C23H19N3O5S (C23 H19 N3 O5 S)

Compound Name

N~1~-benzyl-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

IUPAC name

N-benzyl-2-[2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamido]benzamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cccc1)c1C(NCc1ccccc1)=O

InChI

InChI=1S/C23H19N3O5S/c27-21(15-26-23(29)18-11-5-7-13-20(18)32(26,30)31)25-19-12-6-4-10-17(19)22(28)24-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,28)(H,25,27)

InChI Key

RUZHDEOJOMKKMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04318020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

2.010

Water Solubility, LogSw

-2.99

Polar Surface Area

92.049

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D034-0242 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D034-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0242?
Check Price and Availability of D034-0242, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D034-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0242
  • 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 D034-0242 available by request