D160-0004 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-methylbenzamide

D160-0004 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-methylbenzamide
D160-0004 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D160-0004
N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-methylbenzamide

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

D160-0004

Molecular Formula

C12H13N3O2 (C12 H13 N3 O2)

Compound Name

N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-methylbenzamide

IUPAC name

N-(4-ethyl-125-oxadiazol-3-yl)-2-methylbenzamide

SMILES

CCc1nonc1NC(c1c(C)cccc1)=O

InChI

InChI=1S/C12H13N3O2/c1-3-10-11(15-17-14-10)13-12(16)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,15,16)

InChI Key

OOLCOPUYVWBZJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-3.19

Polar Surface Area

60.853

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D160-0004 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D160-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0004?
Check Price and Availability of D160-0004, 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 D160-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0004
  • 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 D160-0004 available by request