2138-0006 Screening compound: N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)benzohydrazide

2138-0006 Screening compound: N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)benzohydrazide
2138-0006 Screening compound: N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2138-0006
N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)benzohydrazide

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

2138-0006

Molecular Formula

C17H14N4O3S (C17 H14 N4 O3 S)

Compound Name

N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)benzohydrazide

IUPAC name

N'-(2-cyanoethyl)-N'-(11-dioxo-1lambda62-benzothiazol-3-yl)benzohydrazide

SMILES

N#CCCN(C(c1c2cccc1)=NS2(=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C17H14N4O3S/c18-11-6-12-21(19-17(22)13-7-2-1-3-8-13)16-14-9-4-5-10-15(14)25(23,24)20-16/h1-5,7-10H,6,12H2,(H,19,22)

InChI Key

BQMGDSHNQBWDNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01442093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.154

Distribution Coefficient, logD

0.927

Water Solubility, LogSw

-2.34

Polar Surface Area

84.651

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2138-0006 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2138-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2138-0006?
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What is the minimum amount of 2138-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2138-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2138-0006
  • 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 2138-0006 available by request