D563-0011 Screening compound: 3-(benzenesulfonyl)-7-[2-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

D563-0011 Screening compound: 3-(benzenesulfonyl)-7-[2-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
D563-0011 Screening compound: 3-(benzenesulfonyl)-7-[2-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0011
3-(benzenesulfonyl)-7-[2-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

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

D563-0011

Molecular Formula

C22H19NO4S2 (C22 H19 NO4 S2)

Compound Name

3-(benzenesulfonyl)-7-[2-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

3-(benzenesulfonyl)-7-[2-(prop-2-en-1-yloxy)phenyl]-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

C=CCOc1c(C(C2)c(scc3S(c4ccccc4)(=O)=O)c3NC2=O)cccc1

InChI

InChI=1S/C22H19NO4S2/c1-2-12-27-18-11-7-6-10-16(18)17-13-20(24)23-21-19(14-28-22(17)21)29(25,26)15-8-4-3-5-9-15/h2-11,14,17H,1,12-13H2,(H,23,24)/t17-/m0/s1

InChI Key

IBWRBPUNPWKMDL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27592667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.40

Polar Surface Area

60.559

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-8.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D563-0011 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 D563-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0011?
Check Price and Availability of D563-0011, 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 D563-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0011
  • 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 D563-0011 available by request