D562-0363 Screening compound: 7-(2-butoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0363 Screening compound: 7-(2-butoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0363 Screening compound: 7-(2-butoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0363
7-(2-butoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-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

D562-0363

Molecular Formula

C25H24FNO5S (C25 H24 FNO5 S)

Compound Name

7-(2-butoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

IUPAC name

7-(2-butoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-5-oxo-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

CCCCOc1c(C(C2)c(sc(C(O)=O)c3-c(cc4)ccc4F)c3NC2=O)cccc1OC

InChI

InChI=1S/C25H24FNO5S/c1-3-4-12-32-22-16(6-5-7-18(22)31-2)17-13-19(28)27-21-20(14-8-10-15(26)11-9-14)24(25(29)30)33-23(17)21/h5-11,17H,3-4,12-13H2,1-2H3,(H,27,28)(H,29,30)/t17-/m1/s1

InChI Key

OAXXQNBJRHLLPY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27592455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.53

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

4.841

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-4.57

Polar Surface Area

66.912

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

D562-0363 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D562-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0363?
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What is the minimum amount of D562-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0363
  • 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 D562-0363 available by request