E959-1638 Screening compound: N-(3-methylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

E959-1638 Screening compound: N-(3-methylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
E959-1638 Screening compound: N-(3-methylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-1638
N-(3-methylphenyl)-1-[(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

E959-1638

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(C(CC2)CCN2S(c(cc2)cc(N3)c2SCC3=O)(=O)=O)=O)c1

InChI

InChI=1S/C21H23N3O4S2/c1-14-3-2-4-16(11-14)22-21(26)15-7-9-24(10-8-15)30(27,28)17-5-6-19-18(12-17)23-20(25)13-29-19/h2-6,11-12,15H,7-10,13H2,1H3,(H,22,26)(H,23,25)

InChI Key

NRJZOOFTVGHMRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.78

Polar Surface Area

79.861

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E959-1638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-1638?
Check Price and Availability of E959-1638, 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 E959-1638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-1638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-1638
  • 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 E959-1638 available by request