K953-0535 Screening compound: N-cyclohexyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0535 Screening compound: N-cyclohexyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0535 Screening compound: N-cyclohexyl-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0535
N-cyclohexyl-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

K953-0535

Molecular Formula

C16H20N2O2S (C16 H20 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(c(cccc1)c1O1)C1=S)NC1CCCCC1

InChI

InChI=1S/C16H20N2O2S/c19-15(17-12-6-2-1-3-7-12)10-11-18-13-8-4-5-9-14(13)20-16(18)21/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,19)

InChI Key

MRQLHOZXZYTOQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.41

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

3.346

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.84

Polar Surface Area

34.050

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K953-0535 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with K953-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0535?
Check Price and Availability of K953-0535, 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 K953-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0535
  • 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 K953-0535 available by request