8017-6305 Screening compound: 1-(1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetraazol-5-yl (2-chlorobenzyl) sulfone

8017-6305 Screening compound: 1-(1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetraazol-5-yl (2-chlorobenzyl) sulfone
8017-6305 Screening compound: 1-(1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetraazol-5-yl (2-chlorobenzyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6305
1-(1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetraazol-5-yl (2-chlorobenzyl) 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

8017-6305

Molecular Formula

C15H11ClN4O4S (C15 H11 ClN4 O4 S)

Compound Name

1-(1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetraazol-5-yl (2-chlorobenzyl) sulfone

IUPAC name

1-(2H-13-benzodioxol-5-yl)-5-[(2-chlorophenyl)methanesulfonyl]-1H-1234-tetrazole

SMILES

O=S(Cc(cccc1)c1Cl)(c1nnnn1-c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C15H11ClN4O4S/c16-12-4-2-1-3-10(12)8-25(21,22)15-17-18-19-20(15)11-5-6-13-14(7-11)24-9-23-13/h1-7H,8-9H2

InChI Key

BJKJSNRFCIHOTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.41

Polar Surface Area

86.412

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-6305 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-6305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6305?
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What is the minimum amount of 8017-6305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6305
  • 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 8017-6305 available by request