G658-0085 Screening compound: N-cyclooctyl-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide

G658-0085 Screening compound: N-cyclooctyl-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide
G658-0085 Screening compound: N-cyclooctyl-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G658-0085
N-cyclooctyl-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide

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

G658-0085

Molecular Formula

C18H26N2OS (C18 H26 N2 OS)

Compound Name

N-cyclooctyl-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide

IUPAC name

N-cyclooctyl-2-(34-dihydro-2H-14-benzothiazin-4-yl)acetamide

SMILES

O=C(CN1c(cccc2)c2SCC1)NC1CCCCCCC1

InChI

InChI=1S/C18H26N2OS/c21-18(19-15-8-4-2-1-3-5-9-15)14-20-12-13-22-17-11-7-6-10-16(17)20/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,19,21)

InChI Key

QCDJPOXVMCWIAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.07

Polar Surface Area

27.329

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

G658-0085 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G658-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G658-0085?
Check Price and Availability of G658-0085, 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 G658-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G658-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G658-0085
  • 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 G658-0085 available by request