C716-0023 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C716-0023 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C716-0023 Screening compound: 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0023
2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

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

C716-0023

Molecular Formula

C20H17N3O6S2 (C20 H17 N3 O6 S2)

Compound Name

2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[5-(benzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(CSC(NC1=O)=NC=C1S(c1ccccc1)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H17N3O6S2/c24-18(22-13-6-7-15-16(10-13)29-9-8-28-15)12-30-20-21-11-17(19(25)23-20)31(26,27)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,22,24)(H,21,23,25)

InChI Key

AWXQFRCKFNTLBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.806

Distribution Coefficient, logD

-0.836

Water Solubility, LogSw

-2.49

Polar Surface Area

102.963

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C716-0023 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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 C716-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0023?
Check Price and Availability of C716-0023, 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 C716-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0023
  • 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 C716-0023 available by request