L701-0785 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one

L701-0785 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)propan-1-one
L701-0785 Screening compound: 1-(azepan-1-yl)-3-(5-{5-[2-(1H-indol-3-yl)ethyl]-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 L701-0785
1-(azepan-1-yl)-3-(5-{5-[2-(1H-indol-3-yl)ethyl]-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

L701-0785

Molecular Formula

C27H29N7O2 (C27 H29 N7 O2)

Compound Name

1-(azepan-1-yl)-3-(5-{5-[2-(1H-indol-3-yl)ethyl]-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-[2-(1H-indol-3-yl)ethyl]-124-oxadiazol-3-yl}-1H-123-benzotriazol-1-yl)propan-1-one

SMILES

O=C(CCn1nnc2c1ccc(-c1noc(CCc3c[nH]c4c3cccc4)n1)c2)N1CCCCCC1

InChI

InChI=1S/C27H29N7O2/c35-26(33-14-5-1-2-6-15-33)13-16-34-24-11-9-19(17-23(24)30-32-34)27-29-25(36-31-27)12-10-20-18-28-22-8-4-3-7-21(20)22/h3-4,7-9,11,17-18,28H,1-2,5-6,10,12-16H2

InChI Key

LQQQMMNFZIQFSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.34

Polar Surface Area

83.309

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

L701-0785 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L701-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0785?
Check Price and Availability of L701-0785, 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 L701-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0785
  • 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 L701-0785 available by request