F053-0507 Screening compound: 1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one

F053-0507 Screening compound: 1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
F053-0507 Screening compound: 1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F053-0507
1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one

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

F053-0507

Molecular Formula

C20H22ClN3O3S2 (C20 H22 ClN3 O3 S2)

Compound Name

1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one

IUPAC name

1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-34-dihydro-2H-14-benzothiazin-4-yl)ethan-1-one

SMILES

CC(N1c(cc(cc2)S(N(CC3)CCN3c3cccc(Cl)c3)(=O)=O)c2SCC1)=O

InChI

InChI=1S/C20H22ClN3O3S2/c1-15(25)24-11-12-28-20-6-5-18(14-19(20)24)29(26,27)23-9-7-22(8-10-23)17-4-2-3-16(21)13-17/h2-6,13-14H,7-12H2,1H3

InChI Key

BXEMENBXORRHAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.72

Polar Surface Area

51.262

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with F053-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F053-0507?
Check Price and Availability of F053-0507, 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 F053-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F053-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F053-0507
  • 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 F053-0507 available by request