M062-0784 Screening compound: 5-benzyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one

M062-0784 Screening compound: 5-benzyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one
M062-0784 Screening compound: 5-benzyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M062-0784
5-benzyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-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

M062-0784

Molecular Formula

C26H25N3O3S (C26 H25 N3 O3 S)

Compound Name

5-benzyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-thieno[3,2-c]pyridin-4-one

IUPAC name

5-benzyl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H5H-thieno[32-c]pyridin-4-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1cc(C(N(Cc2ccccc2)C=C2)=O)c2s1)=O

InChI

InChI=1S/C26H25N3O3S/c1-32-22-10-6-5-9-21(22)27-13-15-28(16-14-27)26(31)24-17-20-23(33-24)11-12-29(25(20)30)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3

InChI Key

HBYXGPKVFABWFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-3.93

Polar Surface Area

43.938

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

M062-0784 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M062-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M062-0784?
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What is the minimum amount of M062-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M062-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M062-0784
  • 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 M062-0784 available by request