D563-0548 Screening compound: 7-[4-(cyclopentyloxy)phenyl]-3-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

D563-0548 Screening compound: 7-[4-(cyclopentyloxy)phenyl]-3-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
D563-0548 Screening compound: 7-[4-(cyclopentyloxy)phenyl]-3-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0548
7-[4-(cyclopentyloxy)phenyl]-3-(4-methoxybenzenesulfonyl)-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

D563-0548

Molecular Formula

C25H25NO5S2 (C25 H25 NO5 S2)

Compound Name

7-[4-(cyclopentyloxy)phenyl]-3-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

7-[4-(cyclopentyloxy)phenyl]-3-(4-methoxybenzenesulfonyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

COc(cc1)ccc1S(c1csc(C(C2)c(cc3)ccc3OC3CCCC3)c1NC2=O)(=O)=O

InChI

InChI=1S/C25H25NO5S2/c1-30-17-10-12-20(13-11-17)33(28,29)22-15-32-25-21(14-23(27)26-24(22)25)16-6-8-19(9-7-16)31-18-4-2-3-5-18/h6-13,15,18,21H,2-5,14H2,1H3,(H,26,27)/t21-/m0/s1

InChI Key

DKSMLKQPSJJLPQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27643806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.27

Polar Surface Area

67.418

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D563-0548 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D563-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0548?
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What is the minimum amount of D563-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0548
  • 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 D563-0548 available by request