J025-1081 Screening compound: 3-(2-fluorophenyl)-7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

J025-1081 Screening compound: 3-(2-fluorophenyl)-7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
J025-1081 Screening compound: 3-(2-fluorophenyl)-7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J025-1081
3-(2-fluorophenyl)-7-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-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

J025-1081

Molecular Formula

C23H18FNO3S (C23 H18 FNO3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(C(C1)c(scc2-c(cccc3)c3F)c2NC1=O)cc1)c1OCC#C

InChI

InChI=1S/C23H18FNO3S/c1-3-10-28-19-9-8-14(11-20(19)27-2)16-12-21(26)25-22-17(13-29-23(16)22)15-6-4-5-7-18(15)24/h1,4-9,11,13,16H,10,12H2,2H3,(H,25,26)/t16-/m1/s1

InChI Key

GBDQBWGKUYGROB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27644409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.11

Polar Surface Area

38.417

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

J025-1081 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 J025-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J025-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J025-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J025-1081
  • 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 J025-1081 available by request