Y041-5166 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

Y041-5166 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
Y041-5166 Screening compound: 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5166
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

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

Y041-5166

Molecular Formula

C18H19N5O4S (C18 H19 N5 O4 S)

Compound Name

3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]-N-[5-(oxolan-2-yl)-134-thiadiazol-2-yl]propanamide

SMILES

O=C(CCC(C(Nc1c2cccc1)=O)NC2=O)Nc1nnc(C2OCCC2)s1

InChI

InChI=1S/C18H19N5O4S/c24-14(21-18-23-22-17(28-18)13-6-3-9-27-13)8-7-12-16(26)19-11-5-2-1-4-10(11)15(25)20-12/h1-2,4-5,12-13H,3,6-9H2,(H,19,26)(H,20,25)(H,21,23,24)/t12-,13?/m0/s1

InChI Key

ZMWFKSCFQLLGOS-UEWDXFNNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.482

Distribution Coefficient, logD

1.396

Water Solubility, LogSw

-2.39

Polar Surface Area

105.785

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

Y041-5166 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-5166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5166?
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What is the minimum amount of Y041-5166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5166
  • 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 Y041-5166 available by request