8010-0491 Screening compound: N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylbenzohydrazide

8010-0491 Screening compound: N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylbenzohydrazide
8010-0491 Screening compound: N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylbenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0491
N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylbenzohydrazide

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

8010-0491

Molecular Formula

C18H16N4O3S (C18 H16 N4 O3 S)

Compound Name

N'~1~-(2-cyanoethyl)-N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylbenzohydrazide

IUPAC name

N'-(2-cyanoethyl)-N'-(11-dioxo-1lambda62-benzothiazol-3-yl)-4-methylbenzohydrazide

SMILES

Cc(cc1)ccc1C(NN(CCC#N)C(c1c2cccc1)=NS2(=O)=O)=O

InChI

InChI=1S/C18H16N4O3S/c1-13-7-9-14(10-8-13)18(23)20-22(12-4-11-19)17-15-5-2-3-6-16(15)26(24,25)21-17/h2-3,5-10H,4,12H2,1H3,(H,20,23)

InChI Key

FXJREESNYLUPPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

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

1.683

Distribution Coefficient, logD

1.412

Water Solubility, LogSw

-2.72

Polar Surface Area

84.651

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8010-0491 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 8010-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0491?
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What is the minimum amount of 8010-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0491
  • 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 8010-0491 available by request