D349-0450 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

D349-0450 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
D349-0450 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-0450
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

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

D349-0450

Molecular Formula

C21H19N5O4S (C21 H19 N5 O4 S)

Compound Name

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

IUPAC name

N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-2-{2-[3-(3-methylphenyl)-124-oxadiazol-5-yl]phenoxy}acetamide

SMILES

Cc1cccc(-c2noc(-c(cccc3)c3OCC(Nc3nnc(COC)s3)=O)n2)c1

InChI

InChI=1S/C21H19N5O4S/c1-13-6-5-7-14(10-13)19-23-20(30-26-19)15-8-3-4-9-16(15)29-11-17(27)22-21-25-24-18(31-21)12-28-2/h3-10H,11-12H2,1-2H3,(H,22,25,27)

InChI Key

ZPVHREUHMOADPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.38

Polar Surface Area

94.572

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D349-0450 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D349-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-0450?
Check Price and Availability of D349-0450, 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 D349-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-0450
  • 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 D349-0450 available by request