C202-3391 Screening compound: 2-[3-(3-fluoro-4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C202-3391 Screening compound: 2-[3-(3-fluoro-4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
C202-3391 Screening compound: 2-[3-(3-fluoro-4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3391
2-[3-(3-fluoro-4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

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

C202-3391

Molecular Formula

C25H23FN2O3S (C25 H23 FN2 O3 S)

Compound Name

2-[3-(3-fluoro-4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-[3-(3-fluoro-4-methoxyphenyl)-2H-14-benzothiazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COc1ccc(CNC(CC2Sc(cccc3)c3N=C2c(cc2)cc(F)c2OC)=O)cc1

InChI

InChI=1S/C25H23FN2O3S/c1-30-18-10-7-16(8-11-18)15-27-24(29)14-23-25(17-9-12-21(31-2)19(26)13-17)28-20-5-3-4-6-22(20)32-23/h3-13,23H,14-15H2,1-2H3,(H,27,29)/t23-/m0/s1

InChI Key

LCVNSNNXZIRBJW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14731631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.42

Polar Surface Area

47.370

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C202-3391 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C202-3391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3391?
Check Price and Availability of C202-3391, 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 C202-3391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3391
  • 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 C202-3391 available by request