Y041-5077 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

Y041-5077 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Y041-5077 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5077
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]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

Y041-5077

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

IUPAC name

2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

NS(c1ccc(CCNC(CC(C(Nc2c3cccc2)=O)NC3=O)=O)cc1)(=O)=O

InChI

InChI=1S/C19H20N4O5S/c20-29(27,28)13-7-5-12(6-8-13)9-10-21-17(24)11-16-19(26)22-15-4-2-1-3-14(15)18(25)23-16/h1-8,16H,9-11H2,(H,21,24)(H,22,26)(H,23,25)(H2,20,27,28)/t16-/m0/s1

InChI Key

HQDLKTZXLFAWDB-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.407

Distribution Coefficient, logD

-0.419

Water Solubility, LogSw

-2.01

Polar Surface Area

125.867

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with Y041-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5077?
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What is the minimum amount of Y041-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5077
  • 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 Y041-5077 available by request