3031-1241 Screening compound: ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate

3031-1241 Screening compound: ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate
3031-1241 Screening compound: ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3031-1241
ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate

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

3031-1241

Molecular Formula

C25H26N6O3 (C25 H26 N6 O3)

Compound Name

ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}benzoate

IUPAC name

ethyl 4-{[6-(4-benzylpiperidin-1-yl)-[125]oxadiazolo[34-b]pyrazin-5-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1Nc1nc2nonc2nc1N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C25H26N6O3/c1-2-33-25(32)19-8-10-20(11-9-19)26-23-24(28-22-21(27-23)29-34-30-22)31-14-12-18(13-15-31)16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,26,27,29)

InChI Key

RBHIBOYCONEPEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.796

Distribution Coefficient, logD

6.796

Water Solubility, LogSw

-5.88

Polar Surface Area

88.861

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

3031-1241 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3031-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3031-1241?
Check Price and Availability of 3031-1241, 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 3031-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3031-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3031-1241
  • 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 3031-1241 available by request