K953-0667 Screening compound: N-cycloheptyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0667 Screening compound: N-cycloheptyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0667 Screening compound: N-cycloheptyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0667
N-cycloheptyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

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

K953-0667

Molecular Formula

C17H22N2O2S (C17 H22 N2 O2 S)

Compound Name

N-cycloheptyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-cycloheptyl-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

O=C(CCN(c(cccc1)c1O1)C1=S)NC1CCCCCC1

InChI

InChI=1S/C17H22N2O2S/c20-16(18-13-7-3-1-2-4-8-13)11-12-19-14-9-5-6-10-15(14)21-17(19)22/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,18,20)

InChI Key

IBWZSTQHBUKDHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-4.04

Polar Surface Area

34.381

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

K953-0667 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K953-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0667?
Check Price and Availability of K953-0667, 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 K953-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0667
  • 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 K953-0667 available by request