L429-0450 Screening compound: N-[(3-bromophenyl)methyl]-3-{7-oxo-3-phenyl-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl}propanamide

L429-0450 Screening compound: N-[(3-bromophenyl)methyl]-3-{7-oxo-3-phenyl-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl}propanamide
L429-0450 Screening compound: N-[(3-bromophenyl)methyl]-3-{7-oxo-3-phenyl-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L429-0450
N-[(3-bromophenyl)methyl]-3-{7-oxo-3-phenyl-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

L429-0450

Molecular Formula

C21H17BrN4O3 (C21 H17 BrN4 O3)

Compound Name

N-[(3-bromophenyl)methyl]-3-{7-oxo-3-phenyl-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-6-yl}propanamide

IUPAC name

N-[(3-bromophenyl)methyl]-3-{7-oxo-3-phenyl-6H7H-[12]oxazolo[45-d]pyrimidin-6-yl}propanamide

SMILES

O=C(CCN(C=Nc1c2onc1-c1ccccc1)C2=O)NCc1cccc(Br)c1

InChI

InChI=1S/C21H17BrN4O3/c22-16-8-4-5-14(11-16)12-23-17(27)9-10-26-13-24-19-18(15-6-2-1-3-7-15)25-29-20(19)21(26)28/h1-8,11,13H,9-10,12H2,(H,23,27)

InChI Key

ZREHOXBEGHWIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.3

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

2.867

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-3.40

Polar Surface Area

70.697

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L429-0450 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L429-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L429-0450?
Check Price and Availability of L429-0450, 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 L429-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L429-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L429-0450
  • 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 L429-0450 available by request