D562-0500 Screening compound: 7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0500 Screening compound: 7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0500 Screening compound: 7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0500
7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

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

D562-0500

Molecular Formula

C25H21NO6S (C25 H21 NO6 S)

Compound Name

7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

IUPAC name

7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methoxyphenyl)-5-oxo-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

COc(cc1)ccc1-c1c(C(O)=O)sc(C(C2)c(cc3)cc(OC)c3OCC#C)c1NC2=O

InChI

InChI=1S/C25H21NO6S/c1-4-11-32-18-10-7-15(12-19(18)31-3)17-13-20(27)26-22-21(24(25(28)29)33-23(17)22)14-5-8-16(30-2)9-6-14/h1,5-10,12,17H,11,13H2,2-3H3,(H,26,27)(H,28,29)/t17-/m1/s1

InChI Key

URRIUCVLLAREAB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27592515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-3.88

Polar Surface Area

74.369

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D562-0500 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D562-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0500?
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What is the minimum amount of D562-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0500
  • 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 D562-0500 available by request