8017-4936 Screening compound: 1-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone

8017-4936 Screening compound: 1-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone
8017-4936 Screening compound: 1-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4936
1-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl 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

8017-4936

Molecular Formula

C10H11ClN4O4S (C10 H11 ClN4 O4 S)

Compound Name

1-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl methyl sulfone

IUPAC name

1-(4-chloro-25-dimethoxyphenyl)-5-methanesulfonyl-1H-1234-tetrazole

SMILES

COc(c(-n1nnnc1S(C)(=O)=O)c1)cc(Cl)c1OC

InChI

InChI=1S/C10H11ClN4O4S/c1-18-8-5-7(9(19-2)4-6(8)11)15-10(12-13-14-15)20(3,16)17/h4-5H,1-3H3

InChI Key

VPVHEOZXKCLLRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.74

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

1.095

Distribution Coefficient, logD

1.095

Water Solubility, LogSw

-2.71

Polar Surface Area

85.241

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8017-4936 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-4936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4936?
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What is the minimum amount of 8017-4936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4936
  • 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 8017-4936 available by request