C761-1102 Screening compound: N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide

C761-1102 Screening compound: N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide
C761-1102 Screening compound: N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1102
N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide

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

C761-1102

Molecular Formula

C20H21NO6S (C20 H21 NO6 S)

Compound Name

N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide

IUPAC name

N-(24-dimethoxyphenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-2-methoxybenzamide

SMILES

COc(cc1)cc(OC)c1N(C(C1)C=CS1(=O)=O)C(c(cccc1)c1OC)=O

InChI

InChI=1S/C20H21NO6S/c1-25-15-8-9-17(19(12-15)27-3)21(14-10-11-28(23,24)13-14)20(22)16-6-4-5-7-18(16)26-2/h4-12,14H,13H2,1-3H3/t14-/m0/s1

InChI Key

NRSLJLBOTSBTLC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05715303

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

2.286

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-3.00

Polar Surface Area

65.883

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C761-1102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C761-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1102?
Check Price and Availability of C761-1102, 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 C761-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1102
  • 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 C761-1102 available by request