8016-9882 Screening compound: N~1~,N~1~-diethyl-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide

8016-9882 Screening compound: N~1~,N~1~-diethyl-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide
8016-9882 Screening compound: N~1~,N~1~-diethyl-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9882
N~1~,N~1~-diethyl-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-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

8016-9882

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

N~1~,N~1~-diethyl-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide

IUPAC name

NN-diethyl-2-methyl-5-{3-methyl-[124]triazolo[34-a]phthalazin-6-yl}benzene-1-sulfonamide

SMILES

CCN(CC)S(c1c(C)ccc(-c(c2c3cccc2)nn2c3nnc2C)c1)(=O)=O

InChI

InChI=1S/C21H23N5O2S/c1-5-25(6-2)29(27,28)19-13-16(12-11-14(19)3)20-17-9-7-8-10-18(17)21-23-22-15(4)26(21)24-20/h7-13H,5-6H2,1-4H3

InChI Key

MWTLCWGDUVQWCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-3.17

Polar Surface Area

65.316

Acid Dissociation Constant (pKa)

26.24

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8016-9882 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-9882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9882?
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What is the minimum amount of 8016-9882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9882
  • 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 8016-9882 available by request