Y043-1751 Screening compound: methyl 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate

Y043-1751 Screening compound: methyl 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate
Y043-1751 Screening compound: methyl 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-1751
methyl 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate

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

Y043-1751

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

methyl 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate

IUPAC name

methyl 4-{5-[(3aS4S6aR)-2-oxo-hexahydro-1H-thieno[34-d]imidazol-4-yl]pentanamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CCCC[C@H]([C@@H]1N2)SC[C@H]1NC2=O)=O)=O

InChI

InChI=1S/C18H23N3O4S/c1-25-17(23)11-6-8-12(9-7-11)19-15(22)5-3-2-4-14-16-13(10-26-14)20-18(24)21-16/h6-9,13-14,16H,2-5,10H2,1H3,(H,19,22)(H2,20,21,24)/t13-,14+,16-/m0/s1

InChI Key

NZWNXXCWEVAFQZ-LZWOXQAQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-2.65

Polar Surface Area

81.953

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

Y043-1751 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-1751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-1751?
Check Price and Availability of Y043-1751, 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 Y043-1751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-1751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-1751
  • 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 Y043-1751 available by request