C202-3331 Screening compound: N-[(2-chlorophenyl)methyl]-2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide

C202-3331 Screening compound: N-[(2-chlorophenyl)methyl]-2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide
C202-3331 Screening compound: N-[(2-chlorophenyl)methyl]-2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3331
N-[(2-chlorophenyl)methyl]-2-[3-(3,4-dimethoxyphenyl)-2H-1,4-benzothiazin-2-yl]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

C202-3331

Molecular Formula

C25H23ClN2O3S (C25 H23 ClN2 O3 S)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[3-(34-dimethoxyphenyl)-2H-14-benzothiazin-2-yl]acetamide

SMILES

COc(ccc(C1=Nc(cccc2)c2SC1CC(NCc(cccc1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C25H23ClN2O3S/c1-30-20-12-11-16(13-21(20)31-2)25-23(32-22-10-6-5-9-19(22)28-25)14-24(29)27-15-17-7-3-4-8-18(17)26/h3-13,23H,14-15H2,1-2H3,(H,27,29)/t23-/m0/s1

InChI Key

YNQNSXPQGVOYSE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14731599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.99

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

4.956

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-5.11

Polar Surface Area

47.457

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C202-3331 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3331?
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What is the minimum amount of C202-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3331
  • 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 C202-3331 available by request