D101-0538 Screening compound: 3,4-diethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

D101-0538 Screening compound: 3,4-diethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
D101-0538 Screening compound: 3,4-diethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0538
3,4-diethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-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

D101-0538

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

3,4-diethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

IUPAC name

34-diethoxy-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}benzamide

SMILES

CCOc(ccc(C(NCc1nc(-c2ccc(C)cc2)no1)=O)c1)c1OCC

InChI

InChI=1S/C21H23N3O4/c1-4-26-17-11-10-16(12-18(17)27-5-2)21(25)22-13-19-23-20(24-28-19)15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3,(H,22,25)

InChI Key

GGSWWKUEHFRUKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-3.94

Polar Surface Area

70.415

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D101-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0538?
Check Price and Availability of D101-0538, 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 D101-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0538
  • 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 D101-0538 available by request