D562-0557 Screening compound: 3-(4-methoxyphenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0557 Screening compound: 3-(4-methoxyphenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0557 Screening compound: 3-(4-methoxyphenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0557
3-(4-methoxyphenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-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

D562-0557

Molecular Formula

C24H21NO5S (C24 H21 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1c(C(O)=O)sc(C(C2)c3cc(OCC=C)ccc3)c1NC2=O

InChI

InChI=1S/C24H21NO5S/c1-3-11-30-17-6-4-5-15(12-17)18-13-19(26)25-21-20(23(24(27)28)31-22(18)21)14-7-9-16(29-2)10-8-14/h3-10,12,18H,1,11,13H2,2H3,(H,25,26)(H,27,28)/t18-/m1/s1

InChI Key

AHNNDHWOKTVVRK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27592558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.138

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-4.39

Polar Surface Area

66.652

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D562-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0557?
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What is the minimum amount of D562-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0557
  • 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 D562-0557 available by request