L701-0647 Screening compound: 3-(5-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)-1-(morpholin-4-yl)propan-1-one

L701-0647 Screening compound: 3-(5-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)-1-(morpholin-4-yl)propan-1-one
L701-0647 Screening compound: 3-(5-{5-[(3-methylphenoxy)methyl]-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 L701-0647
3-(5-{5-[(3-methylphenoxy)methyl]-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

L701-0647

Molecular Formula

C23H24N6O4 (C23 H24 N6 O4)

Compound Name

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

SMILES

Cc1cccc(OCc2nc(-c(cc3)cc4c3n(CCC(N3CCOCC3)=O)nn4)no2)c1

InChI

InChI=1S/C23H24N6O4/c1-16-3-2-4-18(13-16)32-15-21-24-23(26-33-21)17-5-6-20-19(14-17)25-27-29(20)8-7-22(30)28-9-11-31-12-10-28/h2-6,13-14H,7-12,15H2,1H3

InChI Key

DMNKBEMNSRVJGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

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

2.608

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-2.78

Polar Surface Area

88.514

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L701-0647 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with L701-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0647?
Check Price and Availability of L701-0647, 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 L701-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0647
  • 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 L701-0647 available by request