C761-0942 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-2-phenoxypropanamide

C761-0942 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-2-phenoxypropanamide
C761-0942 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0942
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-2-phenoxypropanamide

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

C761-0942

Molecular Formula

C20H21NO5S (C20 H21 NO5 S)

Compound Name

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

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-methoxyphenyl)-2-phenoxypropanamide

SMILES

CC(C(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1OC)=O)Oc1ccccc1

InChI

InChI=1S/C20H21NO5S/c1-15(26-19-6-4-3-5-7-19)20(22)21(17-12-13-27(23,24)14-17)16-8-10-18(25-2)11-9-16/h3-13,15,17H,14H2,1-2H3

InChI Key

FPIAHTXTAVMBAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-2.68

Polar Surface Area

57.712

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C761-0942 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C761-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0942?
Check Price and Availability of C761-0942, 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 C761-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0942
  • 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 C761-0942 available by request