Y043-3500 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N~1~-[3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]pentanamide

Y043-3500 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N~1~-[3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]pentanamide
Y043-3500 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N~1~-[3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3500
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N~1~-[3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]pentanamide

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

Y043-3500

Molecular Formula

C17H21N7O2S (C17 H21 N7 O2 S)

Compound Name

5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N~1~-[3-(1H-1,2,3,4-tetraazol-1-yl)phenyl]pentanamide

IUPAC name

5-[(3aS4S6aR)-2-oxo-hexahydro-1H-thieno[34-d]imidazol-4-yl]-N-[3-(1H-1234-tetrazol-1-yl)phenyl]pentanamide

SMILES

O=C(CCCC[C@H]([C@@H]1N2)SC[C@H]1NC2=O)Nc1cc(-n2nnnc2)ccc1

InChI

InChI=1S/C17H21N7O2S/c25-15(19-11-4-3-5-12(8-11)24-10-18-22-23-24)7-2-1-6-14-16-13(9-27-14)20-17(26)21-16/h3-5,8,10,13-14,16H,1-2,6-7,9H2,(H,19,25)(H2,20,21,26)/t13-,14+,16-/m0/s1

InChI Key

IFUJLMJEPKIIFC-LZWOXQAQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

1.414

Water Solubility, LogSw

-2.49

Polar Surface Area

100.544

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.06

Y043-3500 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-3500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3500?
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What is the minimum amount of Y043-3500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3500
  • 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 Y043-3500 available by request