D051-0294 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-methylpropanamide

D051-0294 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-methylpropanamide
D051-0294 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0294
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-methylpropanamide

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

D051-0294

Molecular Formula

C13H19NO4S (C13 H19 NO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-methylpropanamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]-2-methylpropanamide

SMILES

CC(C)C(N(Cc1ccco1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C13H19NO4S/c1-10(2)13(15)14(8-12-4-3-6-18-12)11-5-7-19(16,17)9-11/h3-4,6,10-11H,5,7-9H2,1-2H3/t11-/m1/s1

InChI Key

PRXBYWPWDXXOEW-LLVKDONJSA-N

MDL Number (MFCD)

MFCD04190015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.954

Distribution Coefficient, logD

0.954

Water Solubility, LogSw

-2.07

Polar Surface Area

51.880

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

D051-0294 in Drug Discovery

Included in Screening Libraries

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

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 D051-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0294?
Check Price and Availability of D051-0294, 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 D051-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0294
  • 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 D051-0294 available by request