E966-1481 Screening compound: N-benzyl-N-methyl-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

E966-1481 Screening compound: N-benzyl-N-methyl-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
E966-1481 Screening compound: N-benzyl-N-methyl-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1481
N-benzyl-N-methyl-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-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

E966-1481

Molecular Formula

C23H27N3O4S2 (C23 H27 N3 O4 S2)

Compound Name

N-benzyl-N-methyl-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-benzyl-N-methyl-1-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

CC1Sc(ccc(S(N(CC2)CCC2C(N(C)Cc2ccccc2)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C23H27N3O4S2/c1-16-22(27)24-20-14-19(8-9-21(20)31-16)32(29,30)26-12-10-18(11-13-26)23(28)25(2)15-17-6-4-3-5-7-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,24,27)/t16-/m1/s1

InChI Key

JWVHHBNRCGVOOO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14933864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.67

Polar Surface Area

72.977

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E966-1481 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E966-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1481?
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What is the minimum amount of E966-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1481
  • 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 E966-1481 available by request