D101-0137 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methylbenzamide

D101-0137 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methylbenzamide
D101-0137 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0137
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-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

D101-0137

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methylbenzamide

IUPAC name

N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-3-methylbenzamide

SMILES

Cc1cccc(C(NCc2nc(-c(cc3)ccc3OC)no2)=O)c1

InChI

InChI=1S/C18H17N3O3/c1-12-4-3-5-14(10-12)18(22)19-11-16-20-17(21-24-16)13-6-8-15(23-2)9-7-13/h3-10H,11H2,1-2H3,(H,19,22)

InChI Key

YMWQWURMLRLIRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07363421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.05

Polar Surface Area

63.539

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D101-0137 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D101-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0137?
Check Price and Availability of D101-0137, 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 D101-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0137
  • 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 D101-0137 available by request