Y043-1748 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-methoxybenzyl)pentanamide

Y043-1748 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-methoxybenzyl)pentanamide
Y043-1748 Screening compound: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-methoxybenzyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-1748
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-methoxybenzyl)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

Y043-1748

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(CCCC[C@H]([C@@H]2N3)SC[C@H]2NC3=O)=O)cccc1

InChI

InChI=1S/C18H25N3O3S/c1-24-14-7-3-2-6-12(14)10-19-16(22)9-5-4-8-15-17-13(11-25-15)20-18(23)21-17/h2-3,6-7,13,15,17H,4-5,8-11H2,1H3,(H,19,22)(H2,20,21,23)/t13-,15+,17-/m0/s1

InChI Key

FQUOEBNXRWXSEP-LXZKKBNFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-2.28

Polar Surface Area

69.732

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with Y043-1748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-1748?
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What is the minimum amount of Y043-1748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-1748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-1748
  • 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 Y043-1748 available by request