D562-0273 Screening compound: 7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0273 Screening compound: 7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0273 Screening compound: 7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0273
7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-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

D562-0273

Molecular Formula

C26H23NO5S (C26 H23 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C(C1)c(sc(C(O)=O)c2-c3ccc(C)cc3)c2NC1=O)cc1)c1OCC#C

InChI

InChI=1S/C26H23NO5S/c1-4-12-32-19-11-10-17(13-20(19)31-5-2)18-14-21(28)27-23-22(16-8-6-15(3)7-9-16)25(26(29)30)33-24(18)23/h1,6-11,13,18H,5,12,14H2,2-3H3,(H,27,28)(H,29,30)/t18-/m1/s1

InChI Key

XEISNXUPTMZRDF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27592419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.022

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-4.20

Polar Surface Area

66.405

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

D562-0273 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D562-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0273?
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What is the minimum amount of D562-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0273
  • 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 D562-0273 available by request