3014-4899 Screening compound: ethyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3014-4899 Screening compound: ethyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3014-4899 Screening compound: ethyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4899
ethyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-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

3014-4899

Molecular Formula

C17H22N2O4 (C17 H22 N2 O4)

Compound Name

ethyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-methyl-2-oxo-4-[2-(propan-2-yloxy)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1OC(C)C)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C17H22N2O4/c1-5-22-16(20)14-11(4)18-17(21)19-15(14)12-8-6-7-9-13(12)23-10(2)3/h6-10,15H,5H2,1-4H3,(H2,18,19,21)/t15-/m1/s1

InChI Key

FRXDGBLUXLVTJK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01192662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.89

Polar Surface Area

63.334

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

3014-4899 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 3014-4899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4899?
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What is the minimum amount of 3014-4899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4899
  • 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 3014-4899 available by request