C122-0661 Screening compound: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-ethoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0661 Screening compound: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-ethoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0661 Screening compound: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-ethoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0661
4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-ethoxypropyl)-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

C122-0661

Molecular Formula

C21H22ClFN2O3S (C21 H22 ClFN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(c(cc1)cc(N2Cc(ccc(F)c3)c3Cl)c1SCC2=O)=O

InChI

InChI=1S/C21H22ClFN2O3S/c1-2-28-9-3-8-24-21(27)14-5-7-19-18(10-14)25(20(26)13-29-19)12-15-4-6-16(23)11-17(15)22/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,24,27)

InChI Key

ADPRMDAUNBQYOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-4.12

Polar Surface Area

48.123

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C122-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0661?
Check Price and Availability of C122-0661, 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 C122-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0661
  • 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 C122-0661 available by request