E567-0036 Screening compound: N-[(1,2-benzoxazol-3-yl)methyl]-2-methylpiperidine-1-carboxamide

E567-0036 Screening compound: N-[(1,2-benzoxazol-3-yl)methyl]-2-methylpiperidine-1-carboxamide
E567-0036 Screening compound: N-[(1,2-benzoxazol-3-yl)methyl]-2-methylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E567-0036
N-[(1,2-benzoxazol-3-yl)methyl]-2-methylpiperidine-1-carboxamide

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

E567-0036

Molecular Formula

C15H19N3O2 (C15 H19 N3 O2)

Compound Name

N-[(1,2-benzoxazol-3-yl)methyl]-2-methylpiperidine-1-carboxamide

IUPAC name

N-[(12-benzoxazol-3-yl)methyl]-2-methylpiperidine-1-carboxamide

SMILES

CC(CCCC1)N1C(NCc1noc2c1cccc2)=O

InChI

InChI=1S/C15H19N3O2/c1-11-6-4-5-9-18(11)15(19)16-10-13-12-7-2-3-8-14(12)20-17-13/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,19)/t11-/m0/s1

InChI Key

SSVPCYQSQHLOLS-NSHDSACASA-N

MDL Number (MFCD)

MFCD14898988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.10

Polar Surface Area

49.009

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

E567-0036 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E567-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E567-0036?
Check Price and Availability of E567-0036, 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 E567-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E567-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E567-0036
  • 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 E567-0036 available by request