C761-0680 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenyl-4-(piperidinosulfonyl)benzamide

C761-0680 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenyl-4-(piperidinosulfonyl)benzamide
C761-0680 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenyl-4-(piperidinosulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0680
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenyl-4-(piperidinosulfonyl)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

C761-0680

Molecular Formula

C22H24N2O5S2 (C22 H24 N2 O5 S2)

Compound Name

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

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-phenyl-4-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)N(C(C1)C=CS1(=O)=O)c1ccccc1

InChI

InChI=1S/C22H24N2O5S2/c25-22(24(19-7-3-1-4-8-19)20-13-16-30(26,27)17-20)18-9-11-21(12-10-18)31(28,29)23-14-5-2-6-15-23/h1,3-4,7-13,16,20H,2,5-6,14-15,17H2/t20-/m0/s1

InChI Key

ZAXCBXKVRNRJID-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05898646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

2.163

Water Solubility, LogSw

-2.46

Polar Surface Area

75.090

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C761-0680 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C761-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0680?
Check Price and Availability of C761-0680, 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 C761-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0680
  • 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 C761-0680 available by request