C122-0688 Screening compound: 4-(2-CHLORO-4-FLUOROBENZYL)-N-(3-MORPHOLINOPROPYL)-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE

C122-0688 Screening compound: 4-(2-CHLORO-4-FLUOROBENZYL)-N-(3-MORPHOLINOPROPYL)-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE
C122-0688 Screening compound: 4-(2-CHLORO-4-FLUOROBENZYL)-N-(3-MORPHOLINOPROPYL)-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0688
4-(2-CHLORO-4-FLUOROBENZYL)-N-(3-MORPHOLINOPROPYL)-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

C122-0688

Molecular Formula

C23H25ClFN3O3S (C23 H25 ClFN3 O3 S)

Compound Name

4-(2-CHLORO-4-FLUOROBENZYL)-N-(3-MORPHOLINOPROPYL)-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-6-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c(cc1)cc(N2Cc(ccc(F)c3)c3Cl)c1SCC2=O)NCCCN1CCOCC1

InChI

InChI=1S/C23H25ClFN3O3S/c24-19-13-18(25)4-2-17(19)14-28-20-12-16(3-5-21(20)32-15-22(28)29)23(30)26-6-1-7-27-8-10-31-11-9-27/h2-5,12-13H,1,6-11,14-15H2,(H,26,30)

InChI Key

FLTYVOOUZRBBPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-3.62

Polar Surface Area

51.765

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C122-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0688?
Check Price and Availability of C122-0688, 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 C122-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0688
  • 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 C122-0688 available by request