K953-0683 Screening compound: N-(2,3-dimethylcyclohexyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0683 Screening compound: N-(2,3-dimethylcyclohexyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0683 Screening compound: N-(2,3-dimethylcyclohexyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0683
N-(2,3-dimethylcyclohexyl)-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

K953-0683

Molecular Formula

C18H24N2O2S (C18 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCC1)C(C)C1NC(CCN(c(cccc1)c1O1)C1=S)=O

InChI

InChI=1S/C18H24N2O2S/c1-12-6-5-7-14(13(12)2)19-17(21)10-11-20-15-8-3-4-9-16(15)22-18(20)23/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,21)

InChI Key

PMBRAFYKURLEHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.47

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

3.488

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-4.10

Polar Surface Area

34.440

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.60

K953-0683 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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 K953-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0683?
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What is the minimum amount of K953-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0683
  • 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 K953-0683 available by request