L701-0228 Screening compound: 4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

L701-0228 Screening compound: 4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
L701-0228 Screening compound: 4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0228
4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

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

L701-0228

Molecular Formula

C23H21N7O2 (C23 H21 N7 O2)

Compound Name

4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

IUPAC name

4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-123-benzotriazol-5-yl}-124-oxadiazol-5-yl)benzonitrile

SMILES

N#Cc(cc1)ccc1-c1nc(-c(cc2)cc3c2n(CCC(N2CCCCC2)=O)nn3)no1

InChI

InChI=1S/C23H21N7O2/c24-15-16-4-6-17(7-5-16)23-25-22(27-32-23)18-8-9-20-19(14-18)26-28-30(20)13-10-21(31)29-11-2-1-3-12-29/h4-9,14H,1-3,10-13H2

InChI Key

SPHYGWQMPXMAEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.24

Polar Surface Area

90.497

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L701-0228 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L701-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0228?
Check Price and Availability of L701-0228, 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 L701-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0228
  • 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 L701-0228 available by request