8006-5288 Screening compound: 5-{[(E)-1-(3-methyl-2-thienyl)methylidene]amino}-2,3-dihydro-1,4-phthalazinedione

8006-5288 Screening compound: 5-{[(E)-1-(3-methyl-2-thienyl)methylidene]amino}-2,3-dihydro-1,4-phthalazinedione
8006-5288 Screening compound: 5-{[(E)-1-(3-methyl-2-thienyl)methylidene]amino}-2,3-dihydro-1,4-phthalazinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5288
5-{[(E)-1-(3-methyl-2-thienyl)methylidene]amino}-2,3-dihydro-1,4-phthalazinedione

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

8006-5288

Molecular Formula

C14H11N3O2S (C14 H11 N3 O2 S)

Compound Name

5-{[(E)-1-(3-methyl-2-thienyl)methylidene]amino}-2,3-dihydro-1,4-phthalazinedione

IUPAC name

5-[(E)-[(3-methylthiophen-2-yl)methylidene]amino]-1234-tetrahydrophthalazine-14-dione

SMILES

Cc1c(/C=N/c(cccc2C(NN3)=O)c2C3=O)scc1

InChI

InChI=1S/C14H11N3O2S/c1-8-5-6-20-11(8)7-15-10-4-2-3-9-12(10)14(19)17-16-13(9)18/h2-7H,1H3,(H,16,18)(H,17,19)

InChI Key

SATKPOFRDMROSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00556484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.963

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-2.66

Polar Surface Area

63.145

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8006-5288 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-5288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5288?
Check Price and Availability of 8006-5288, 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 8006-5288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5288
  • 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 8006-5288 available by request