2398-3463 Screening compound: allyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

2398-3463 Screening compound: allyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
2398-3463 Screening compound: allyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2398-3463
allyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

2398-3463

Molecular Formula

C22H22N2O4 (C22 H22 N2 O4)

Compound Name

allyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

n/a

SMILES

CC(NC(NC1c2cc(OCc3ccccc3)ccc2)=O)=C1C(OCC=C)=O

InChI

InChI=1S/C22H22N2O4/c1-3-12-27-21(25)19-15(2)23-22(26)24-20(19)17-10-7-11-18(13-17)28-14-16-8-5-4-6-9-16/h3-11,13,20H,1,12,14H2,2H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

YHVLPRRMWGIYNN-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.34

Polar Surface Area

63.967

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.00

References: we are preparing a list of scientific research reports with 2398-3463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3463?
Check Price and Availability of 2398-3463, 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 2398-3463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3463
  • 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 2398-3463 available by request