8017-8142 Screening compound: N~2~-[2-(1-adamantyloxy)ethyl]-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide

8017-8142 Screening compound: N~2~-[2-(1-adamantyloxy)ethyl]-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide
8017-8142 Screening compound: N~2~-[2-(1-adamantyloxy)ethyl]-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8142
N~2~-[2-(1-adamantyloxy)ethyl]-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

8017-8142

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

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

IUPAC name

N-[2-(adamantan-1-yloxy)ethyl]-11-(1H-1234-tetrazol-1-yl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaene-4-sulfonamide

SMILES

O=S(c(cc1)cc2c1oc1c2ccc(-n2nnnc2)c1)(NCCOC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C25H27N5O4S/c31-35(32,27-5-6-33-25-12-16-7-17(13-25)9-18(8-16)14-25)20-2-4-23-22(11-20)21-3-1-19(10-24(21)34-23)30-15-26-28-29-30/h1-4,10-11,15-18,27H,5-9,12-14H2

InChI Key

PFZMWSAEGNIUOG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

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

5.438

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-6.16

Polar Surface Area

95.779

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

8017-8142 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-8142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8142?
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What is the minimum amount of 8017-8142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8142
  • 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 8017-8142 available by request