M648-0579 Screening compound: 1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)-4-(2-fluorophenyl)piperazine

M648-0579 Screening compound: 1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)-4-(2-fluorophenyl)piperazine
M648-0579 Screening compound: 1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M648-0579
1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)-4-(2-fluorophenyl)piperazine

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

M648-0579

Molecular Formula

C20H18F2N2O2S (C20 H18 F2 N2 O2 S)

Compound Name

1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)-4-(2-fluorophenyl)piperazine

IUPAC name

1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)-4-(2-fluorophenyl)piperazine

SMILES

COc1c(C(N(CC2)CCN2c(cccc2)c2F)=O)sc2c1c(F)ccc2

InChI

InChI=1S/C20H18F2N2O2S/c1-26-18-17-14(22)6-4-8-16(17)27-19(18)20(25)24-11-9-23(10-12-24)15-7-3-2-5-13(15)21/h2-8H,9-12H2,1H3

InChI Key

YGNQUUZBLIBLJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.45

Polar Surface Area

28.310

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M648-0579 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M648-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M648-0579?
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What is the minimum amount of M648-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M648-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M648-0579
  • 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 M648-0579 available by request