3542-5621 Screening compound: 2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3542-5621 Screening compound: 2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3542-5621 Screening compound: 2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3542-5621
2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

3542-5621

Molecular Formula

C18H24N2O5 (C18 H24 N2 O5)

Compound Name

2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc(cc(C(C(C(OCC(C)C)=O)=C(C)N1)NC1=O)cc1)c1O

InChI

InChI=1S/C18H24N2O5/c1-5-24-14-8-12(6-7-13(14)21)16-15(11(4)19-18(23)20-16)17(22)25-9-10(2)3/h6-8,10,16,21H,5,9H2,1-4H3,(H2,19,20,23)/t16-/m1/s1

InChI Key

KZLXMOBHUNKOJX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01192891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.162

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-2.78

Polar Surface Area

80.579

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 3542-5621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3542-5621?
Check Price and Availability of 3542-5621, 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 3542-5621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3542-5621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3542-5621
  • 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 3542-5621 available by request