C122-0492 Screening compound: N,4-bis[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0492 Screening compound: N,4-bis[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0492 Screening compound: N,4-bis[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0492
N,4-bis[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-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

C122-0492

Molecular Formula

C23H18Cl2N2O2S (C23 H18 Cl2 N2 O2 S)

Compound Name

N,4-bis[(2-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N4-bis[(2-chlorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc(cccc3)c3Cl)c1SCC2=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C23H18Cl2N2O2S/c24-18-7-3-1-5-16(18)12-26-23(29)15-9-10-21-20(11-15)27(22(28)14-30-21)13-17-6-2-4-8-19(17)25/h1-11H,12-14H2,(H,26,29)

InChI Key

HYVTVHLWCAHQIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.83

Polar Surface Area

40.032

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C122-0492 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 C122-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0492?
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What is the minimum amount of C122-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0492
  • 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 C122-0492 available by request