E966-1539 Screening compound: 2-methyl-6-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

E966-1539 Screening compound: 2-methyl-6-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
E966-1539 Screening compound: 2-methyl-6-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1539
2-methyl-6-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-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

E966-1539

Molecular Formula

C24H27N3O4S2 (C24 H27 N3 O4 S2)

Compound Name

2-methyl-6-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-methyl-6-{[4-(1234-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC1Sc(ccc(S(N(CC2)CCC2C(N(CC2)Cc3c2cccc3)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C24H27N3O4S2/c1-16-23(28)25-21-14-20(6-7-22(21)32-16)33(30,31)27-12-9-18(10-13-27)24(29)26-11-8-17-4-2-3-5-19(17)15-26/h2-7,14,16,18H,8-13,15H2,1H3,(H,25,28)/t16-/m1/s1

InChI Key

OIDNQHJITXWKMF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14933887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.62

Polar Surface Area

73.137

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E966-1539 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with E966-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1539?
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What is the minimum amount of E966-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1539
  • 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 E966-1539 available by request