C202-3329 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C202-3329 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
C202-3329 Screening compound: 2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3329
2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]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

C202-3329

Molecular Formula

C25H21F3N2O4S (C25 H21 F3 N2 O4 S)

Compound Name

2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-[3-(34-dimethoxyphenyl)-2H-14-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

COc(ccc(C1=Nc(cccc2)c2SC1CC(Nc(cc1)ccc1OC(F)(F)F)=O)c1)c1OC

InChI

InChI=1S/C25H21F3N2O4S/c1-32-19-12-7-15(13-20(19)33-2)24-22(35-21-6-4-3-5-18(21)30-24)14-23(31)29-16-8-10-17(11-9-16)34-25(26,27)28/h3-13,22H,14H2,1-2H3,(H,29,31)/t22-/m0/s1

InChI Key

DKCHKLPTMFXKJH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14731598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.49

Polar Surface Area

52.071

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C202-3329 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C202-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3329?
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What is the minimum amount of C202-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3329
  • 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 C202-3329 available by request