C761-1006 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,3-dimethoxy-N~1~-(4-methoxyphenyl)benzamide

C761-1006 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,3-dimethoxy-N~1~-(4-methoxyphenyl)benzamide
C761-1006 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,3-dimethoxy-N~1~-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1006
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,3-dimethoxy-N~1~-(4-methoxyphenyl)benzamide

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

C761-1006

Molecular Formula

C20H21NO6S (C20 H21 NO6 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,3-dimethoxy-N~1~-(4-methoxyphenyl)benzamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-23-dimethoxy-N-(4-methoxyphenyl)benzamide

SMILES

COc(cc1)ccc1N(C(C1)C=CS1(=O)=O)C(c(cccc1OC)c1OC)=O

InChI

InChI=1S/C20H21NO6S/c1-25-16-9-7-14(8-10-16)21(15-11-12-28(23,24)13-15)20(22)17-5-4-6-18(26-2)19(17)27-3/h4-12,15H,13H2,1-3H3/t15-/m0/s1

InChI Key

MBFNUSIAMCOYBT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05898724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

2.242

Water Solubility, LogSw

-2.83

Polar Surface Area

66.271

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C761-1006 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C761-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1006?
Check Price and Availability of C761-1006, 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 C761-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1006
  • 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 C761-1006 available by request