D677-0159 Screening compound: 4-chloro-2-methoxy-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D677-0159 Screening compound: 4-chloro-2-methoxy-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D677-0159 Screening compound: 4-chloro-2-methoxy-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D677-0159
4-chloro-2-methoxy-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

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

D677-0159

Molecular Formula

C15H16ClN3O4 (C15 H16 ClN3 O4)

Compound Name

4-chloro-2-methoxy-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

IUPAC name

4-chloro-2-methoxy-N-{[5-(oxolan-2-yl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

COc(cc(cc1)Cl)c1C(NCc1noc(C2OCCC2)n1)=O

InChI

InChI=1S/C15H16ClN3O4/c1-21-12-7-9(16)4-5-10(12)14(20)17-8-13-18-15(23-19-13)11-3-2-6-22-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,17,20)/t11-/m0/s1

InChI Key

CFCXREIRPMLALZ-NSHDSACASA-N

MDL Number (MFCD)

MFCD27595810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.56

Polar Surface Area

73.362

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D677-0159 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D677-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D677-0159?
Check Price and Availability of D677-0159, 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 D677-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D677-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D677-0159
  • 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 D677-0159 available by request