5254-2815 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]-1-(3-methylpiperidino)-1-ethanone

5254-2815 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]-1-(3-methylpiperidino)-1-ethanone
5254-2815 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]-1-(3-methylpiperidino)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5254-2815
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]-1-(3-methylpiperidino)-1-ethanone

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

5254-2815

Molecular Formula

C17H20N6O2 (C17 H20 N6 O2)

Compound Name

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzimidazol-1-yl]-1-(3-methylpiperidino)-1-ethanone

IUPAC name

n/a

SMILES

CC(CCC1)CN1C(Cn1c(-c2nonc2N)nc2c1cccc2)=O

InChI

InChI=1S/C17H20N6O2/c1-11-5-4-8-22(9-11)14(24)10-23-13-7-3-2-6-12(13)19-17(23)15-16(18)21-25-20-15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,18,21)/t11-/m0/s1

InChI Key

DAEUAJVDHSRLMK-NSHDSACASA-N

MDL Number (MFCD)

MFCD02577492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-2.49

Polar Surface Area

83.306

Acid Dissociation Constant (pKa)

16.84

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

5254-2815 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5254-2815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5254-2815?
Check Price and Availability of 5254-2815, 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 5254-2815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5254-2815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5254-2815
  • 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 5254-2815 available by request