E966-1583 Screening compound: 1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide

E966-1583 Screening compound: 1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide
E966-1583 Screening compound: 1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1583
1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[4-(propan-2-yl)phenyl]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

E966-1583

Molecular Formula

C24H29N3O4S2 (C24 H29 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(C(CC1)CCN1S(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C24H29N3O4S2/c1-15(2)17-4-6-19(7-5-17)25-24(29)18-10-12-27(13-11-18)33(30,31)20-8-9-22-21(14-20)26-23(28)16(3)32-22/h4-9,14-16,18H,10-13H2,1-3H3,(H,25,29)(H,26,28)/t16-/m1/s1

InChI Key

LRBWTJOUEDJMSO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14933902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.10

Polar Surface Area

79.918

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E966-1583 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E966-1583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1583?
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What is the minimum amount of E966-1583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1583
  • 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 E966-1583 available by request