D349-3912 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-4-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine

D349-3912 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-4-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine
D349-3912 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-4-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3912
1-(2H-1,3-benzodioxol-5-yl)-4-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine

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

D349-3912

Molecular Formula

C25H23N5O3 (C25 H23 N5 O3)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-4-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine

IUPAC name

1-(2H-13-benzodioxol-5-yl)-4-{3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]pyridin-2-yl}piperazine

SMILES

Cc(cc1)ccc1-c1noc(-c2c(N(CC3)CCN3c(cc3)cc4c3OCO4)nccc2)n1

InChI

InChI=1S/C25H23N5O3/c1-17-4-6-18(7-5-17)23-27-25(33-28-23)20-3-2-10-26-24(20)30-13-11-29(12-14-30)19-8-9-21-22(15-19)32-16-31-21/h2-10,15H,11-14,16H2,1H3

InChI Key

OMXTWFSYQZGDGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.434

Water Solubility, LogSw

-5.40

Polar Surface Area

64.453

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D349-3912 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D349-3912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3912?
Check Price and Availability of D349-3912, 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 D349-3912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3912
  • 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 D349-3912 available by request