Y041-6774 Screening compound: 5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-methyl-1H-indole-2-carboxamide

Y041-6774 Screening compound: 5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-methyl-1H-indole-2-carboxamide
Y041-6774 Screening compound: 5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-methyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6774
5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-methyl-1H-indole-2-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

Y041-6774

Molecular Formula

C14H15ClN2O3S (C14 H15 ClN2 O3 S)

Compound Name

5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-methyl-1H-indole-2-carboxamide

IUPAC name

5-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-1-methyl-1H-indole-2-carboxamide

SMILES

Cn(c(C(NC(CC1)CS1(=O)=O)=O)c1)c(cc2)c1cc2Cl

InChI

InChI=1S/C14H15ClN2O3S/c1-17-12-3-2-10(15)6-9(12)7-13(17)14(18)16-11-4-5-21(19,20)8-11/h2-3,6-7,11H,4-5,8H2,1H3,(H,16,18)/t11-/m0/s1

InChI Key

BCZHSXKVZGQKEC-NSHDSACASA-N

MDL Number (MFCD)

MFCD22583973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.651

Distribution Coefficient, logD

1.651

Water Solubility, LogSw

-2.82

Polar Surface Area

54.350

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

Y041-6774 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-6774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6774?
Check Price and Availability of Y041-6774, 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 Y041-6774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6774
  • 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 Y041-6774 available by request