L079-0652 Screening compound: N-benzyl-3-{2-[1-(2,4-dimethoxyphenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazole-5-carboxamide

L079-0652 Screening compound: N-benzyl-3-{2-[1-(2,4-dimethoxyphenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
L079-0652 Screening compound: N-benzyl-3-{2-[1-(2,4-dimethoxyphenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L079-0652
N-benzyl-3-{2-[1-(2,4-dimethoxyphenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazole-5-carboxamide

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

L079-0652

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

N-benzyl-3-{2-[1-(2,4-dimethoxyphenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-benzyl-3-{2-[1-(24-dimethoxyphenyl)-N-methylformamido]ethyl}-124-oxadiazole-5-carboxamide

SMILES

CN(CCc1noc(C(NCc2ccccc2)=O)n1)C(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C22H24N4O5/c1-26(22(28)17-10-9-16(29-2)13-18(17)30-3)12-11-19-24-21(31-25-19)20(27)23-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,23,27)

InChI Key

CUIZTWZFTLMFOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-3.14

Polar Surface Area

88.894

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L079-0652 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L079-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L079-0652?
Check Price and Availability of L079-0652, 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 L079-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L079-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L079-0652
  • 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 L079-0652 available by request