K786-3289 Screening compound: 1-(1,3-benzoxazol-2-yl)-N-butyl-3-piperidinecarboxamide

K786-3289 Screening compound: 1-(1,3-benzoxazol-2-yl)-N-butyl-3-piperidinecarboxamide
K786-3289 Screening compound: 1-(1,3-benzoxazol-2-yl)-N-butyl-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3289
1-(1,3-benzoxazol-2-yl)-N-butyl-3-piperidinecarboxamide

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

K786-3289

Molecular Formula

C17H23N3O2 (C17 H23 N3 O2)

Compound Name

1-(1,3-benzoxazol-2-yl)-N-butyl-3-piperidinecarboxamide

IUPAC name

1-(13-benzoxazol-2-yl)-N-butylpiperidine-3-carboxamide

SMILES

CCCCNC(C(CCC1)CN1c1nc(cccc2)c2o1)=O

InChI

InChI=1S/C17H23N3O2/c1-2-3-10-18-16(21)13-7-6-11-20(12-13)17-19-14-8-4-5-9-15(14)22-17/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,18,21)/t13-/m0/s1

InChI Key

HEPBRTQYDLKNDS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03831597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.36

Polar Surface Area

45.304

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

K786-3289 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-3289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3289?
Check Price and Availability of K786-3289, 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 K786-3289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3289
  • 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 K786-3289 available by request