L701-0822 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one

L701-0822 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}propan-1-one
L701-0822 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-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 L701-0822
1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-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

L701-0822

Molecular Formula

C25H28N6O4 (C25 H28 N6 O4)

Compound Name

1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-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-dimethoxyphenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazol-1-yl}propan-1-one

SMILES

COc(ccc(-c1nc(-c(cc2)cc3c2n(CCC(N2CCCCCC2)=O)nn3)no1)c1)c1OC

InChI

InChI=1S/C25H28N6O4/c1-33-21-10-8-18(16-22(21)34-2)25-26-24(28-35-25)17-7-9-20-19(15-17)27-29-31(20)14-11-23(32)30-12-5-3-4-6-13-30/h7-10,15-16H,3-6,11-14H2,1-2H3

InChI Key

RZKDLOQCTYDNJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-3.63

Polar Surface Area

89.033

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L701-0822 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L701-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0822?
Check Price and Availability of L701-0822, 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 L701-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0822
  • 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 L701-0822 available by request