8018-1028 Screening compound: 4-[1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl]-N~1~-(2-phenoxyethyl)-1-benzenesulfonamide

8018-1028 Screening compound: 4-[1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl]-N~1~-(2-phenoxyethyl)-1-benzenesulfonamide
8018-1028 Screening compound: 4-[1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl]-N~1~-(2-phenoxyethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1028
4-[1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl]-N~1~-(2-phenoxyethyl)-1-benzenesulfonamide

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

8018-1028

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

4-[1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl]-N~1~-(2-phenoxyethyl)-1-benzenesulfonamide

IUPAC name

4-{13-dioxo-hexahydropyrazolo[12-a][124]triazol-2-yl}-N-(2-phenoxyethyl)benzene-1-sulfonamide

SMILES

O=C(N(CCC1)N1C1=O)N1c(cc1)ccc1S(NCCOc1ccccc1)(=O)=O

InChI

InChI=1S/C19H20N4O5S/c24-18-21-12-4-13-22(21)19(25)23(18)15-7-9-17(10-8-15)29(26,27)20-11-14-28-16-5-2-1-3-6-16/h1-3,5-10,20H,4,11-14H2

InChI Key

IQMSWHJPLVXTLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.77

Polar Surface Area

85.788

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with 8018-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1028
  • 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 8018-1028 available by request