L429-0848 Screening compound: 3-[3-(4-ethylphenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

L429-0848 Screening compound: 3-[3-(4-ethylphenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
L429-0848 Screening compound: 3-[3-(4-ethylphenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L429-0848
3-[3-(4-ethylphenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

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

L429-0848

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

3-[3-(4-ethylphenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

IUPAC name

3-[3-(4-ethylphenyl)-7-oxo-6H7H-[12]oxazolo[45-d]pyrimidin-6-yl]-N-(5678-tetrahydronaphthalen-1-yl)propanamide

SMILES

CCc(cc1)ccc1-c1noc2c1N=CN(CCC(Nc1c(CCCC3)c3ccc1)=O)C2=O

InChI

InChI=1S/C26H26N4O3/c1-2-17-10-12-19(13-11-17)23-24-25(33-29-23)26(32)30(16-27-24)15-14-22(31)28-21-9-5-7-18-6-3-4-8-20(18)21/h5,7,9-13,16H,2-4,6,8,14-15H2,1H3,(H,28,31)

InChI Key

OPWODLWJAUDSHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.26

Polar Surface Area

68.598

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

L429-0848 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with L429-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L429-0848?
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What is the minimum amount of L429-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L429-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L429-0848
  • 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 L429-0848 available by request