8016-4634 Screening compound: 1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl ({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]sulfonyl}methyl) sulfone

8016-4634 Screening compound: 1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl ({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]sulfonyl}methyl) sulfone
8016-4634 Screening compound: 1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl ({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]sulfonyl}methyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4634
1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl ({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]sulfonyl}methyl) sulfone

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

8016-4634

Molecular Formula

C17H16N8O6S2 (C17 H16 N8 O6 S2)

Compound Name

1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl ({[1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]sulfonyl}methyl) sulfone

IUPAC name

1-(4-methoxyphenyl)-5-({[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]sulfonyl}methanesulfonyl)-1H-1234-tetrazole

SMILES

COc(cc1)ccc1-n1nnnc1S(CS(c1nnnn1-c(cc1)ccc1OC)(=O)=O)(=O)=O

InChI

InChI=1S/C17H16N8O6S2/c1-30-14-7-3-12(4-8-14)24-16(18-20-22-24)32(26,27)11-33(28,29)17-19-21-23-25(17)13-5-9-15(31-2)10-6-13/h3-10H,11H2,1-2H3

InChI Key

YBCKGGYXRQRIQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.5

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-2.09

Polar Surface Area

153.714

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8016-4634 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-4634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4634?
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What is the minimum amount of 8016-4634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4634
  • 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 8016-4634 available by request