F601-0858 Screening compound: 3-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-benzoxazol-2-one

F601-0858 Screening compound: 3-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-benzoxazol-2-one
F601-0858 Screening compound: 3-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F601-0858
3-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-benzoxazol-2-one

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

F601-0858

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

3-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

Cc1ccc(CN(c(cc(cc2)C(N3CCCCC3)=O)c2O2)C2=O)cc1

InChI

InChI=1S/C21H22N2O3/c1-15-5-7-16(8-6-15)14-23-18-13-17(9-10-19(18)26-21(23)25)20(24)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3

InChI Key

CXGURTVHXGVDHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.73

Polar Surface Area

39.715

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F601-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F601-0858?
Check Price and Availability of F601-0858, 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 F601-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F601-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F601-0858
  • 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 F601-0858 available by request