Y041-4598 Screening compound: 2-(5-bromo-1H-indol-1-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

Y041-4598 Screening compound: 2-(5-bromo-1H-indol-1-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide
Y041-4598 Screening compound: 2-(5-bromo-1H-indol-1-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4598
2-(5-bromo-1H-indol-1-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-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

Y041-4598

Molecular Formula

C14H15BrN2O3S (C14 H15 BrN2 O3 S)

Compound Name

2-(5-bromo-1H-indol-1-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

IUPAC name

2-(5-bromo-1H-indol-1-yl)-N-(11-dioxo-1lambda6-thiolan-3-yl)acetamide

SMILES

O=C(Cn(cc1)c(cc2)c1cc2Br)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C14H15BrN2O3S/c15-11-1-2-13-10(7-11)3-5-17(13)8-14(18)16-12-4-6-21(19,20)9-12/h1-3,5,7,12H,4,6,8-9H2,(H,16,18)/t12-/m0/s1

InChI Key

HVXBNZGRFYLTAT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12208435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-2.58

Polar Surface Area

54.711

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

Y041-4598 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-4598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4598?
Check Price and Availability of Y041-4598, 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 Y041-4598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4598
  • 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 Y041-4598 available by request