2539-4011 Screening compound: 2-phenylethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2539-4011 Screening compound: 2-phenylethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2539-4011 Screening compound: 2-phenylethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2539-4011
2-phenylethyl 4-(3-ethoxyphenyl)-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

2539-4011

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

2-phenylethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-phenylethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc1cccc(C(C(C(OCCc2ccccc2)=O)=C(C)N2)NC2=O)c1

InChI

InChI=1S/C22H24N2O4/c1-3-27-18-11-7-10-17(14-18)20-19(15(2)23-22(26)24-20)21(25)28-13-12-16-8-5-4-6-9-16/h4-11,14,20H,3,12-13H2,1-2H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

NNBIYDMEUHZWEY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01192917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

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

3.559

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.62

Polar Surface Area

63.591

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

2539-4011 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2539-4011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2539-4011?
Check Price and Availability of 2539-4011, 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 2539-4011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2539-4011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2539-4011
  • 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 2539-4011 available by request