Y044-5459 Screening compound: N~1~-[3-(acetylamino)phenyl]-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)acetamide

Y044-5459 Screening compound: N~1~-[3-(acetylamino)phenyl]-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)acetamide
Y044-5459 Screening compound: N~1~-[3-(acetylamino)phenyl]-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5459
N~1~-[3-(acetylamino)phenyl]-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)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

Y044-5459

Molecular Formula

C15H20N4O5S (C15 H20 N4 O5 S)

Compound Name

N~1~-[3-(acetylamino)phenyl]-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)acetamide

IUPAC name

2-{[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]amino}-N-(3-acetamidophenyl)acetamide

SMILES

CC(Nc1cccc(NC(CNC(NC(CC2)CS2(=O)=O)=O)=O)c1)=O

InChI

InChI=1S/C15H20N4O5S/c1-10(20)17-11-3-2-4-12(7-11)18-14(21)8-16-15(22)19-13-5-6-25(23,24)9-13/h2-4,7,13H,5-6,8-9H2,1H3,(H,17,20)(H,18,21)(H2,16,19,22)/t13-/m1/s1

InChI Key

UGLMSPQQUMXMAS-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.769

Distribution Coefficient, logD

-0.769

Water Solubility, LogSw

-1.87

Polar Surface Area

109.759

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y044-5459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5459?
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What is the minimum amount of Y044-5459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5459
  • 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 Y044-5459 available by request