J025-0230 Screening compound: 7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

J025-0230 Screening compound: 7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
J025-0230 Screening compound: 7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J025-0230
7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-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

J025-0230

Molecular Formula

C25H23NO3S (C25 H23 NO3 S)

Compound Name

7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

7-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-3-(4-methylphenyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

CCOc(cc(C(C1)c(scc2-c3ccc(C)cc3)c2NC1=O)cc1)c1OCC#C

InChI

InChI=1S/C25H23NO3S/c1-4-12-29-21-11-10-18(13-22(21)28-5-2)19-14-23(27)26-24-20(15-30-25(19)24)17-8-6-16(3)7-9-17/h1,6-11,13,15,19H,5,12,14H2,2-3H3,(H,26,27)/t19-/m1/s1

InChI Key

FRPXGVKSSPPBEC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27219366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.682

Water Solubility, LogSw

-4.46

Polar Surface Area

37.997

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

J025-0230 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 J025-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J025-0230?
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What is the minimum amount of J025-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J025-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J025-0230
  • 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 J025-0230 available by request