Y043-1745 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[4-(acetylamino)phenyl]pentanamide

Y043-1745 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[4-(acetylamino)phenyl]pentanamide
Y043-1745 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[4-(acetylamino)phenyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-1745
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[4-(acetylamino)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

Y043-1745

Molecular Formula

C18H24N4O3S (C18 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-11(23)19-12-6-8-13(9-7-12)20-16(24)5-3-2-4-15-17-14(10-26-15)21-18(25)22-17/h6-9,14-15,17H,2-5,10H2,1H3,(H,19,23)(H,20,24)(H2,21,22,25)/t14-,15+,17-/m0/s1

InChI Key

BCNZMCCCLYVMEO-UXLLHSPISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.254

Distribution Coefficient, logD

1.254

Water Solubility, LogSw

-1.88

Polar Surface Area

84.041

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

Y043-1745 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 Y043-1745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-1745?
Check Price and Availability of Y043-1745, 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 Y043-1745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-1745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-1745
  • 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 Y043-1745 available by request