Y041-4411 Screening compound: N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3H4H5H-BENZO[E]INDAZOLE-1-CARBOXAMIDE

Y041-4411 Screening compound: N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3H4H5H-BENZO[E]INDAZOLE-1-CARBOXAMIDE
Y041-4411 Screening compound: N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3H4H5H-BENZO[E]INDAZOLE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4411
N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3H4H5H-BENZO[E]INDAZOLE-1-CARBOXAMIDE

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

Y041-4411

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-3H4H5H-BENZO[E]INDAZOLE-1-CARBOXAMIDE

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-3H4H5H-benzo[e]indazole-1-carboxamide

SMILES

O=C(c1n[nH]c(CC2)c1-c1c2cccc1)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C16H17N3O3S/c20-16(17-11-7-8-23(21,22)9-11)15-14-12-4-2-1-3-10(12)5-6-13(14)18-19-15/h1-4,11H,5-9H2,(H,17,20)(H,18,19)/t11-/m1/s1

InChI Key

QYIIQOMJSLTSBY-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27962570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.869

Distribution Coefficient, logD

0.869

Water Solubility, LogSw

-2.30

Polar Surface Area

77.496

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y041-4411 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-4411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4411?
Check Price and Availability of Y041-4411, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-4411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4411
  • 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 Y041-4411 available by request