L701-0818 Screening compound: N-[4-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)phenyl]acetamide

L701-0818 Screening compound: N-[4-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)phenyl]acetamide
L701-0818 Screening compound: N-[4-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0818
N-[4-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)phenyl]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

L701-0818

Molecular Formula

C25H27N7O3 (C25 H27 N7 O3)

Compound Name

N-[4-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)phenyl]acetamide

IUPAC name

N-[4-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-123-benzotriazol-5-yl}-124-oxadiazol-5-yl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1-c1nc(-c(cc2)cc3c2n(CCC(N2CCCCCC2)=O)nn3)no1)=O

InChI

InChI=1S/C25H27N7O3/c1-17(33)26-20-9-6-18(7-10-20)25-27-24(29-35-25)19-8-11-22-21(16-19)28-30-32(22)15-12-23(34)31-13-4-2-3-5-14-31/h6-11,16H,2-5,12-15H2,1H3,(H,26,33)

InChI Key

TVECLJJZAQFYKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.41

Polar Surface Area

97.034

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L701-0818 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L701-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0818?
Check Price and Availability of L701-0818, 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 L701-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0818
  • 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 L701-0818 available by request