5677-0045 Screening compound: 1-{2-[(2-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl}piperidine-4-carboxamide

5677-0045 Screening compound: 1-{2-[(2-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl}piperidine-4-carboxamide
5677-0045 Screening compound: 1-{2-[(2-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5677-0045
1-{2-[(2-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl}piperidine-4-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

5677-0045

Molecular Formula

C17H17ClN4O3 (C17 H17 ClN4 O3)

Compound Name

1-{2-[(2-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl}piperidine-4-carboxamide

IUPAC name

1-{2-[(2-chlorophenoxy)methyl]-4-cyano-13-oxazol-5-yl}piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1c1c(C#N)nc(COc(cccc2)c2Cl)o1)=O

InChI

InChI=1S/C17H17ClN4O3/c18-12-3-1-2-4-14(12)24-10-15-21-13(9-19)17(25-15)22-7-5-11(6-8-22)16(20)23/h1-4,11H,5-8,10H2,(H2,20,23)

InChI Key

KOBGMGDHPHRVCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.45

Polar Surface Area

81.065

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

5677-0045 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5677-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5677-0045?
Check Price and Availability of 5677-0045, 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 5677-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5677-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5677-0045
  • 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 5677-0045 available by request