C761-0845 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-ethyl-N~1~-(4-fluorophenyl)butanamide

C761-0845 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-ethyl-N~1~-(4-fluorophenyl)butanamide
C761-0845 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-ethyl-N~1~-(4-fluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0845
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-ethyl-N~1~-(4-fluorophenyl)butanamide

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

C761-0845

Molecular Formula

C16H20FNO3S (C16 H20 FNO3 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-ethyl-N~1~-(4-fluorophenyl)butanamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-2-ethyl-N-(4-fluorophenyl)butanamide

SMILES

CCC(CC)C(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1F)=O

InChI

InChI=1S/C16H20FNO3S/c1-3-12(4-2)16(19)18(14-7-5-13(17)6-8-14)15-9-10-22(20,21)11-15/h5-10,12,15H,3-4,11H2,1-2H3/t15-/m0/s1

InChI Key

BJUFBUYLSAPFNL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05898694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

2.589

Water Solubility, LogSw

-2.79

Polar Surface Area

43.651

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

C761-0845 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C761-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0845?
Check Price and Availability of C761-0845, 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 C761-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0845
  • 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 C761-0845 available by request