D216-0439 Screening compound: N-[1-(1,2,3-benzotriazin-4-yloxy)butan-2-yl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide

D216-0439 Screening compound: N-[1-(1,2,3-benzotriazin-4-yloxy)butan-2-yl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide
D216-0439 Screening compound: N-[1-(1,2,3-benzotriazin-4-yloxy)butan-2-yl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0439
N-[1-(1,2,3-benzotriazin-4-yloxy)butan-2-yl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide

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

D216-0439

Molecular Formula

C18H18N8O3S (C18 H18 N8 O3 S)

Compound Name

N-[1-(1,2,3-benzotriazin-4-yloxy)butan-2-yl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide

IUPAC name

N-[1-(123-benzotriazin-4-yloxy)butan-2-yl]-4-(1H-1234-tetrazol-1-yl)benzene-1-sulfonamide

SMILES

CCC(COc1nnnc2ccccc12)NS(c(cc1)ccc1-n1nnnc1)(=O)=O

InChI

InChI=1S/C18H18N8O3S/c1-2-13(11-29-18-16-5-3-4-6-17(16)20-24-21-18)22-30(27,28)15-9-7-14(8-10-15)26-12-19-23-25-26/h3-10,12-13,22H,2,11H2,1H3/t13-/m0/s1

InChI Key

YRTQGUNVVDDWRQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14814376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.14

Polar Surface Area

124.740

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D216-0439 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D216-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0439?
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What is the minimum amount of D216-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0439
  • 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 D216-0439 available by request