8018-3660 Screening compound: N~2~-(2,6-dimethylphenyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide

8018-3660 Screening compound: N~2~-(2,6-dimethylphenyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide
8018-3660 Screening compound: N~2~-(2,6-dimethylphenyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3660
N~2~-(2,6-dimethylphenyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-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

8018-3660

Molecular Formula

C21H17N5O3S (C21 H17 N5 O3 S)

Compound Name

N~2~-(2,6-dimethylphenyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide

IUPAC name

N-(26-dimethylphenyl)-11-(1H-1234-tetrazol-1-yl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaene-4-sulfonamide

SMILES

Cc1cccc(C)c1NS(c(cc1)cc2c1oc1c2ccc(-n2nnnc2)c1)(=O)=O

InChI

InChI=1S/C21H17N5O3S/c1-13-4-3-5-14(2)21(13)23-30(27,28)16-7-9-19-18(11-16)17-8-6-15(10-20(17)29-19)26-12-22-24-25-26/h3-12,23H,1-2H3

InChI Key

NRBXHRZPJXKBJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.55

Polar Surface Area

87.173

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8018-3660 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 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

References: we are preparing a list of scientific research reports with 8018-3660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3660?
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What is the minimum amount of 8018-3660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3660
  • 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 8018-3660 available by request