E912-0658 Screening compound: 6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

E912-0658 Screening compound: 6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
E912-0658 Screening compound: 6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0658
6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-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

E912-0658

Molecular Formula

C22H24ClN3O4S2 (C22 H24 ClN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CS(c(cc1)cc(N2)c1SCC2=O)(=O)=O)C(N(CC1)CCN1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H24ClN3O4S2/c1-15(14-32(29,30)18-6-7-20-19(12-18)24-21(27)13-31-20)22(28)26-10-8-25(9-11-26)17-4-2-16(23)3-5-17/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,27)/t15-/m0/s1

InChI Key

LMLBKUHZLAFDRW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14927474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.467

Distribution Coefficient, logD

2.467

Water Solubility, LogSw

-3.46

Polar Surface Area

74.004

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E912-0658 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E912-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0658?
Check Price and Availability of E912-0658, 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 E912-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0658
  • 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 E912-0658 available by request