M648-0596 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide

M648-0596 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
M648-0596 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M648-0596
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide

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

M648-0596

Molecular Formula

C17H12ClF2NO2S (C17 H12 ClF2 NO2 S)

Compound Name

N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide

IUPAC name

N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide

SMILES

COc1c(C(NCc(cc2)cc(Cl)c2F)=O)sc2c1c(F)ccc2

InChI

InChI=1S/C17H12ClF2NO2S/c1-23-15-14-12(20)3-2-4-13(14)24-16(15)17(22)21-8-9-5-6-11(19)10(18)7-9/h2-7H,8H2,1H3,(H,21,22)

InChI Key

YVAURCGUKXCJMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.59

Polar Surface Area

33.116

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with M648-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M648-0596?
Check Price and Availability of M648-0596, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M648-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M648-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M648-0596
  • 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 M648-0596 available by request