0104-0082 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(dodecylsulfanyl)-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzene-1,4-diol

0104-0082 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(dodecylsulfanyl)-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzene-1,4-diol
0104-0082 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(dodecylsulfanyl)-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzene-1,4-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0104-0082
3-[(4-chlorophenyl)sulfanyl]-2-(dodecylsulfanyl)-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzene-1,4-diol

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

0104-0082

Molecular Formula

C31H37ClN4O2S3 (C31 H37 ClN4 O2 S3)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-2-(dodecylsulfanyl)-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzene-1,4-diol

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-2-(dodecylsulfanyl)-5-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]benzene-14-diol

SMILES

CCCCCCCCCCCCSc(c(O)cc(Sc1nnnn1-c1ccccc1)c1O)c1Sc(cc1)ccc1Cl

InChI

InChI=1S/C31H37ClN4O2S3/c1-2-3-4-5-6-7-8-9-10-14-21-39-29-26(37)22-27(28(38)30(29)40-25-19-17-23(32)18-20-25)41-31-33-34-35-36(31)24-15-12-11-13-16-24/h11-13,15-20,22,37-38H,2-10,14,21H2,1H3

InChI Key

DFEMBCDNSOJVTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00319325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

11.422

Distribution Coefficient, logD

11.413

Water Solubility, LogSw

-6.16

Polar Surface Area

71.645

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

0104-0082 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0104-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0104-0082?
Check Price and Availability of 0104-0082, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0104-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0104-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0104-0082
  • 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 0104-0082 available by request