Y041-7957 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(4S)-1-(4-methoxybenzyl)-2,5-dioxotetrahydro-1H-imidazol-4-yl]acetamide

Y041-7957 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(4S)-1-(4-methoxybenzyl)-2,5-dioxotetrahydro-1H-imidazol-4-yl]acetamide
Y041-7957 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(4S)-1-(4-methoxybenzyl)-2,5-dioxotetrahydro-1H-imidazol-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7957
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(4S)-1-(4-methoxybenzyl)-2,5-dioxotetrahydro-1H-imidazol-4-yl]acetamide

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

Y041-7957

Molecular Formula

C17H21N3O6S (C17 H21 N3 O6 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[(4S)-1-(4-methoxybenzyl)-2,5-dioxotetrahydro-1H-imidazol-4-yl]acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-25-dioxoimidazolidin-4-yl]acetamide

SMILES

COc1ccc(CN(C(C(CC(NC(CC2)CS2(=O)=O)=O)N2)=O)C2=O)cc1

InChI

InChI=1S/C17H21N3O6S/c1-26-13-4-2-11(3-5-13)9-20-16(22)14(19-17(20)23)8-15(21)18-12-6-7-27(24,25)10-12/h2-5,12,14H,6-10H2,1H3,(H,18,21)(H,19,23)/t12?,14-/m0/s1

InChI Key

CJPQMPGPWYVDJM-PYMCNQPYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.304

Distribution Coefficient, logD

-0.304

Water Solubility, LogSw

-2.26

Polar Surface Area

101.842

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with Y041-7957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7957?
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What is the minimum amount of Y041-7957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7957
  • 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 Y041-7957 available by request