8018-6087 Screening compound: N~1~-[3-chloro-4-(1H-imidazol-1-yl)phenyl]-4-methoxy-3-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide

8018-6087 Screening compound: N~1~-[3-chloro-4-(1H-imidazol-1-yl)phenyl]-4-methoxy-3-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide
8018-6087 Screening compound: N~1~-[3-chloro-4-(1H-imidazol-1-yl)phenyl]-4-methoxy-3-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6087
N~1~-[3-chloro-4-(1H-imidazol-1-yl)phenyl]-4-methoxy-3-(1H-1,2,3,4-tetraazol-1-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

8018-6087

Molecular Formula

C17H14ClN7O3S (C17 H14 ClN7 O3 S)

Compound Name

N~1~-[3-chloro-4-(1H-imidazol-1-yl)phenyl]-4-methoxy-3-(1H-1,2,3,4-tetraazol-1-yl)-1-benzenesulfonamide

IUPAC name

N-[3-chloro-4-(1H-imidazol-1-yl)phenyl]-4-methoxy-3-(1H-1234-tetrazol-1-yl)benzene-1-sulfonamide

SMILES

COc(ccc(S(Nc(cc1)cc(Cl)c1-n1cncc1)(=O)=O)c1)c1-n1nnnc1

InChI

InChI=1S/C17H14ClN7O3S/c1-28-17-5-3-13(9-16(17)25-11-20-22-23-25)29(26,27)21-12-2-4-15(14(18)8-12)24-7-6-19-10-24/h2-11,21H,1H3

InChI Key

GARJGVMTVYQKAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.214

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-3.25

Polar Surface Area

100.407

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8018-6087 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6087?
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What is the minimum amount of 8018-6087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6087
  • 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 8018-6087 available by request