8017-0706 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide

8017-0706 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide
8017-0706 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0706
N~1~-[4-(aminosulfonyl)phenyl]-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide

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

8017-0706

Molecular Formula

C17H16N6O4S2 (C17 H16 N6 O4 S2)

Compound Name

N~1~-[4-(aminosulfonyl)phenyl]-2-{2-[1-oxo-2(1H)-phthalazinyl]acetyl}-1-hydrazinecarbothioamide

IUPAC name

2-(1-oxo-12-dihydrophthalazin-2-yl)-N-{[(4-sulfamoylphenyl)carbamothioyl]amino}acetamide

SMILES

NS(c(cc1)ccc1NC(NNC(CN1N=Cc(cccc2)c2C1=O)=O)=S)(=O)=O

InChI

InChI=1S/C17H16N6O4S2/c18-29(26,27)13-7-5-12(6-8-13)20-17(28)22-21-15(24)10-23-16(25)14-4-2-1-3-11(14)9-19-23/h1-9H,10H2,(H,21,24)(H2,18,26,27)(H2,20,22,28)

InChI Key

PUHLQXBBAYYGBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.594

Distribution Coefficient, logD

-0.612

Water Solubility, LogSw

-2.29

Polar Surface Area

125.819

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8017-0706 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0706?
Check Price and Availability of 8017-0706, 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 8017-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0706
  • 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 8017-0706 available by request