8016-7536 Screening compound: 2-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone

8016-7536 Screening compound: 2-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone
8016-7536 Screening compound: 2-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7536
2-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-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

8016-7536

Molecular Formula

C19H15N5O3S (C19 H15 N5 O3 S)

Compound Name

2-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone

IUPAC name

n/a

SMILES

O=C1N(Cc(n2-c(cc3)cc4c3OCCO4)nnc2S)N=Cc2c1cccc2

InChI

InChI=1S/C19H15N5O3S/c25-18-14-4-2-1-3-12(14)10-20-23(18)11-17-21-22-19(28)24(17)13-5-6-15-16(9-13)27-8-7-26-15/h1-6,9-10H,7-8,11H2,(H,22,28)

InChI Key

DPTYUVUGBDKGME-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.364

Distribution Coefficient, logD

-0.895

Water Solubility, LogSw

-2.41

Polar Surface Area

68.520

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8016-7536 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7536?
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What is the minimum amount of 8016-7536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7536
  • 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 8016-7536 available by request