C706-0257 Screening compound: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C706-0257 Screening compound: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C706-0257 Screening compound: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C706-0257
4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-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

C706-0257

Molecular Formula

C21H30N4O4S2 (C21 H30 N4 O4 S2)

Compound Name

4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(N3CCN(C)CC3)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C21H30N4O4S2/c1-16-5-7-24(8-6-16)31(28,29)17-3-4-19-18(13-17)25(21(27)15-30-19)14-20(26)23-11-9-22(2)10-12-23/h3-4,13,16H,5-12,14-15H2,1-2H3

InChI Key

LMSAOWOQXPGSQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.288

Water Solubility, LogSw

-2.51

Polar Surface Area

67.199

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C706-0257 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C706-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C706-0257?
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What is the minimum amount of C706-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C706-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C706-0257
  • 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 C706-0257 available by request