3028-4985 Screening compound: cyclohexylmethyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3028-4985 Screening compound: cyclohexylmethyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3028-4985 Screening compound: cyclohexylmethyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3028-4985
cyclohexylmethyl 4-(2-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

3028-4985

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(C(C(C(OCC2CCCCC2)=O)=C(C)N2)NC2=O)cccc1

InChI

InChI=1S/C21H28N2O4/c1-3-26-17-12-8-7-11-16(17)19-18(14(2)22-21(25)23-19)20(24)27-13-15-9-5-4-6-10-15/h7-8,11-12,15,19H,3-6,9-10,13H2,1-2H3,(H2,22,23,25)/t19-/m1/s1

InChI Key

PGVGFLSWLRPGFG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01193104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.25

Polar Surface Area

63.952

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

3028-4985 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 3028-4985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3028-4985?
Check Price and Availability of 3028-4985, 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 3028-4985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3028-4985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3028-4985
  • 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 3028-4985 available by request