L701-0603 Screening compound: 3-(5-{5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)-1-(morpholin-4-yl)propan-1-one

L701-0603 Screening compound: 3-(5-{5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)-1-(morpholin-4-yl)propan-1-one
L701-0603 Screening compound: 3-(5-{5-[(4-chlorophenyl)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 L701-0603
3-(5-{5-[(4-chlorophenyl)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

L701-0603

Molecular Formula

C22H21ClN6O3 (C22 H21 ClN6 O3)

Compound Name

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

SMILES

O=C(CCn1nnc2c1ccc(-c1noc(Cc(cc3)ccc3Cl)n1)c2)N1CCOCC1

InChI

InChI=1S/C22H21ClN6O3/c23-17-4-1-15(2-5-17)13-20-24-22(26-32-20)16-3-6-19-18(14-16)25-27-29(19)8-7-21(30)28-9-11-31-12-10-28/h1-6,14H,7-13H2

InChI Key

CNESWKBGDHISMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.57

Polar Surface Area

81.015

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L701-0603 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 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 L701-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L701-0603?
Check Price and Availability of L701-0603, 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 L701-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L701-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L701-0603
  • 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 L701-0603 available by request