L453-0172 Screening compound: N-[3-(diethylamino)propyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide

L453-0172 Screening compound: N-[3-(diethylamino)propyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide
L453-0172 Screening compound: N-[3-(diethylamino)propyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0172
N-[3-(diethylamino)propyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide

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

L453-0172

Molecular Formula

C27H36N6O3 (C27 H36 N6 O3)

Compound Name

N-[3-(diethylamino)propyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide

IUPAC name

N-[3-(diethylamino)propyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-124-oxadiazol-5-yl]benzamide

SMILES

CCN(CC)CCCNC(c(cc1)ccc1-c1nc(CCN(C)C(Nc2c(C)cccc2)=O)no1)=O

InChI

InChI=1S/C27H36N6O3/c1-5-33(6-2)18-9-17-28-25(34)21-12-14-22(15-13-21)26-30-24(31-36-26)16-19-32(4)27(35)29-23-11-8-7-10-20(23)3/h7-8,10-15H,5-6,9,16-19H2,1-4H3,(H,28,34)(H,29,35)

InChI Key

XPJLGVLKTCZABP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

0.732

Water Solubility, LogSw

-3.52

Polar Surface Area

85.096

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

L453-0172 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with L453-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0172?
Check Price and Availability of L453-0172, 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 L453-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0172
  • 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 L453-0172 available by request