L429-1028 Screening compound: N-[(4-butoxyphenyl)methyl]-3-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]propanamide

L429-1028 Screening compound: N-[(4-butoxyphenyl)methyl]-3-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]propanamide
L429-1028 Screening compound: N-[(4-butoxyphenyl)methyl]-3-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L429-1028
N-[(4-butoxyphenyl)methyl]-3-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-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

L429-1028

Molecular Formula

C25H25FN4O4 (C25 H25 FN4 O4)

Compound Name

N-[(4-butoxyphenyl)methyl]-3-[3-(4-fluorophenyl)-7-oxo-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl]propanamide

IUPAC name

N-[(4-butoxyphenyl)methyl]-3-[3-(4-fluorophenyl)-7-oxo-6H7H-[12]oxazolo[45-d]pyrimidin-6-yl]propanamide

SMILES

CCCCOc1ccc(CNC(CCN(C=Nc2c3onc2-c(cc2)ccc2F)C3=O)=O)cc1

InChI

InChI=1S/C25H25FN4O4/c1-2-3-14-33-20-10-4-17(5-11-20)15-27-21(31)12-13-30-16-28-23-22(29-34-24(23)25(30)32)18-6-8-19(26)9-7-18/h4-11,16H,2-3,12-15H2,1H3,(H,27,31)

InChI Key

VPXBDQRCOCAEOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27252531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.78

Polar Surface Area

78.115

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L429-1028 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 L429-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L429-1028?
Check Price and Availability of L429-1028, 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 L429-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L429-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L429-1028
  • 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 L429-1028 available by request