8014-2732 Screening compound: ethyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamido)-3-phenylpropanoate

8014-2732 Screening compound: ethyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamido)-3-phenylpropanoate
8014-2732 Screening compound: ethyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2732
ethyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamido)-3-phenylpropanoate

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

8014-2732

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

ethyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamido)-3-phenylpropanoate

IUPAC name

ethyl 2-(2-{5-[4-(methylsulfanyl)phenyl]-2H-1234-tetrazol-2-yl}acetamido)-3-phenylpropanoate

SMILES

CCOC(C(Cc1ccccc1)NC(Cn1nnc(-c(cc2)ccc2SC)n1)=O)=O

InChI

InChI=1S/C21H23N5O3S/c1-3-29-21(28)18(13-15-7-5-4-6-8-15)22-19(27)14-26-24-20(23-25-26)16-9-11-17(30-2)12-10-16/h4-12,18H,3,13-14H2,1-2H3,(H,22,27)/t18-/m0/s1

InChI Key

YDNQXIPKFRXTGC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03768616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.49

Polar Surface Area

83.197

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8014-2732 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Integrin Receptors Targeted library (1715 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-2732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2732?
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What is the minimum amount of 8014-2732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2732
  • 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 8014-2732 available by request