0104-0071 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N,N'-bis(4-undecylphenyl)propanediamide

0104-0071 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N,N'-bis(4-undecylphenyl)propanediamide
0104-0071 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N,N'-bis(4-undecylphenyl)propanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0104-0071
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N,N'-bis(4-undecylphenyl)propanediamide

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

0104-0071

Molecular Formula

C44H62N6O2S (C44 H62 N6 O2 S)

Compound Name

2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N,N'-bis(4-undecylphenyl)propanediamide

IUPAC name

2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]-NN'-bis(4-undecylphenyl)propanediamide

SMILES

CCCCCCCCCCCc(cc1)ccc1NC(C(C(Nc1ccc(CCCCCCCCCCC)cc1)=O)Sc1nnnn1-c1ccccc1)=O

InChI

InChI=1S/C44H62N6O2S/c1-3-5-7-9-11-13-15-17-20-24-36-28-32-38(33-29-36)45-42(51)41(53-44-47-48-49-50(44)40-26-22-19-23-27-40)43(52)46-39-34-30-37(31-35-39)25-21-18-16-14-12-10-8-6-4-2/h19,22-23,26-35,41H,3-18,20-21,24-25H2,1-2H3,(H,45,51)(H,46,52)

InChI Key

MIVHFMHCUIVWOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00309165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

739.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

29.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

14.756

Distribution Coefficient, logD

14.730

Water Solubility, LogSw

-5.79

Polar Surface Area

86.343

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.30

0104-0071 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0104-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0104-0071?
Check Price and Availability of 0104-0071, 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 0104-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0104-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0104-0071
  • 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 0104-0071 available by request