2648-4230 Screening compound: prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2648-4230 Screening compound: prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2648-4230 Screening compound: prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2648-4230
prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-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

2648-4230

Molecular Formula

C18H22N2O5 (C18 H22 N2 O5)

Compound Name

prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc(ccc(C(C(C(OCC=C)=O)=C(C)N1)NC1=O)c1)c1OC

InChI

InChI=1S/C18H22N2O5/c1-5-9-25-17(21)15-11(3)19-18(22)20-16(15)12-7-8-13(24-6-2)14(10-12)23-4/h5,7-8,10,16H,1,6,9H2,2-4H3,(H2,19,20,22)/t16-/m1/s1

InChI Key

JBESNXINOYGXMX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01192952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.656

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.22

Polar Surface Area

71.580

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2648-4230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2648-4230?
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What is the minimum amount of 2648-4230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2648-4230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2648-4230
  • 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 2648-4230 available by request