D034-0286 Screening compound: N~1~-butyl-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

D034-0286 Screening compound: N~1~-butyl-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide
D034-0286 Screening compound: N~1~-butyl-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 D034-0286
N~1~-butyl-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

D034-0286

Molecular Formula

C20H21N3O5S (C20 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c(cccc1)c1NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O)=O

InChI

InChI=1S/C20H21N3O5S/c1-2-3-12-21-19(25)14-8-4-6-10-16(14)22-18(24)13-23-20(26)15-9-5-7-11-17(15)29(23,27)28/h4-11H,2-3,12-13H2,1H3,(H,21,25)(H,22,24)

InChI Key

HWXXEEBEIQVJTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04367932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.822

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-2.79

Polar Surface Area

92.162

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D034-0286 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D034-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0286?
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What is the minimum amount of D034-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0286
  • 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 D034-0286 available by request