K904-0054 Screening compound: N-cyclohexyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

K904-0054 Screening compound: N-cyclohexyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
K904-0054 Screening compound: N-cyclohexyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K904-0054
N-cyclohexyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-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

K904-0054

Molecular Formula

C15H18N2O3 (C15 H18 N2 O3)

Compound Name

N-cyclohexyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-cyclohexyl-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)NC1CCCCC1

InChI

InChI=1S/C15H18N2O3/c18-14(16-11-6-2-1-3-7-11)10-17-12-8-4-5-9-13(12)20-15(17)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,18)

InChI Key

PKQHAQUHEMGZIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00700890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.75

Polar Surface Area

47.264

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

K904-0054 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K904-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K904-0054?
Check Price and Availability of K904-0054, 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 K904-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K904-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K904-0054
  • 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 K904-0054 available by request