C761-0642 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxy-N~1~-phenylbenzamide

C761-0642 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxy-N~1~-phenylbenzamide
C761-0642 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxy-N~1~-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0642
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxy-N~1~-phenylbenzamide

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

C761-0642

Molecular Formula

C18H17NO4S (C18 H17 NO4 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxy-N~1~-phenylbenzamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-2-methoxy-N-phenylbenzamide

SMILES

COc(cccc1)c1C(N(C(C1)C=CS1(=O)=O)c1ccccc1)=O

InChI

InChI=1S/C18H17NO4S/c1-23-17-10-6-5-9-16(17)18(20)19(14-7-3-2-4-8-14)15-11-12-24(21,22)13-15/h2-12,15H,13H2,1H3/t15-/m0/s1

InChI Key

JCBLHAFMPSKBAQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05715233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.4

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

2.033

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.74

Polar Surface Area

51.010

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C761-0642 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0642?
Check Price and Availability of C761-0642, 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 C761-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0642
  • 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 C761-0642 available by request