8017-9204 Screening compound: N~2~-(3,4-diethoxyphenethyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide

8017-9204 Screening compound: N~2~-(3,4-diethoxyphenethyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide
8017-9204 Screening compound: N~2~-(3,4-diethoxyphenethyl)-7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9204
N~2~-(3,4-diethoxyphenethyl)-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

8017-9204

Molecular Formula

C25H25N5O5S (C25 H25 N5 O5 S)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-11-(1H-1234-tetrazol-1-yl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene-4-sulfonamide

SMILES

CCOc(ccc(CCNS(c(cc1)cc2c1oc1c2ccc(-n2nnnc2)c1)(=O)=O)c1)c1OCC

InChI

InChI=1S/C25H25N5O5S/c1-3-33-23-9-5-17(13-25(23)34-4-2)11-12-27-36(31,32)19-7-10-22-21(15-19)20-8-6-18(14-24(20)35-22)30-16-26-28-29-30/h5-10,13-16,27H,3-4,11-12H2,1-2H3

InChI Key

GTKBUABZCIHNAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.41

Polar Surface Area

103.939

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8017-9204 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-9204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9204?
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What is the minimum amount of 8017-9204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9204
  • 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 8017-9204 available by request