C122-0596 Screening compound: N-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0596 Screening compound: N-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0596 Screening compound: N-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0596
N-benzyl-4-[(2-chloro-6-fluorophenyl)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

C122-0596

Molecular Formula

C23H18ClFN2O2S (C23 H18 ClFN2 O2 S)

Compound Name

N-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc(c(F)ccc3)c3Cl)c1SCC2=O)NCc1ccccc1

InChI

InChI=1S/C23H18ClFN2O2S/c24-18-7-4-8-19(25)17(18)13-27-20-11-16(9-10-21(20)30-14-22(27)28)23(29)26-12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,26,29)

InChI Key

VJXUTYSJHGFAKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.93

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

4.445

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.59

Polar Surface Area

40.032

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with C122-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0596?
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What is the minimum amount of C122-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0596
  • 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 C122-0596 available by request