8019-9510 Screening compound: 2-{2-[4-(3-pyridyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}-1(2H)-phthalazinone

8019-9510 Screening compound: 2-{2-[4-(3-pyridyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}-1(2H)-phthalazinone
8019-9510 Screening compound: 2-{2-[4-(3-pyridyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}-1(2H)-phthalazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9510
2-{2-[4-(3-pyridyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}-1(2H)-phthalazinone

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

8019-9510

Molecular Formula

C17H14N6OS (C17 H14 N6 OS)

Compound Name

2-{2-[4-(3-pyridyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}-1(2H)-phthalazinone

IUPAC name

n/a

SMILES

O=C1N(CCc(n2-c3cnccc3)nnc2S)N=Cc2c1cccc2

InChI

InChI=1S/C17H14N6OS/c24-16-14-6-2-1-4-12(14)10-19-22(16)9-7-15-20-21-17(25)23(15)13-5-3-8-18-11-13/h1-6,8,10-11H,7,9H2,(H,21,25)

InChI Key

SBBTUWDPIMUAEW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.573

Distribution Coefficient, logD

-0.411

Water Solubility, LogSw

-1.45

Polar Surface Area

62.193

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 8019-9510 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8019-9510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9510
  • 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 8019-9510 available by request