L701-0813 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one

L701-0813 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one
L701-0813 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0813
1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one

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

L701-0813

Molecular Formula

C25H28N6O2 (C25 H28 N6 O2)

Compound Name

1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one

IUPAC name

1-(azepan-1-yl)-3-{5-[5-(34-dimethylphenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazol-1-yl}propan-1-one

SMILES

Cc(cc1)c(C)cc1-c1nc(-c(cc2)cc3c2n(CCC(N2CCCCCC2)=O)nn3)no1

InChI

InChI=1S/C25H28N6O2/c1-17-7-8-20(15-18(17)2)25-26-24(28-33-25)19-9-10-22-21(16-19)27-29-31(22)14-11-23(32)30-12-5-3-4-6-13-30/h7-10,15-16H,3-6,11-14H2,1-2H3

InChI Key

DLKREQDSNGHORX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.57

Polar Surface Area

73.772

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L701-0813 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L701-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0813?
Check Price and Availability of L701-0813, 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 L701-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0813
  • 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 L701-0813 available by request