L701-0597 Screening compound: 3-{5-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one

L701-0597 Screening compound: 3-{5-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one
L701-0597 Screening compound: 3-{5-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L701-0597
3-{5-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl}-1-(morpholin-4-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

L701-0597

Molecular Formula

C22H22N6O4 (C22 H22 N6 O4)

Compound Name

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

IUPAC name

3-{5-[5-(3-methoxyphenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazol-1-yl}-1-(morpholin-4-yl)propan-1-one

SMILES

COc1cccc(-c2nc(-c(cc3)cc4c3n(CCC(N3CCOCC3)=O)nn4)no2)c1

InChI

InChI=1S/C22H22N6O4/c1-30-17-4-2-3-16(13-17)22-23-21(25-32-22)15-5-6-19-18(14-15)24-26-28(19)8-7-20(29)27-9-11-31-12-10-27/h2-6,13-14H,7-12H2,1H3

InChI Key

BYMLPBCISTZJTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-2.62

Polar Surface Area

88.893

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L701-0597 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L701-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0597?
Check Price and Availability of L701-0597, 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 L701-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0597
  • 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 L701-0597 available by request