2044-5845 Screening compound: 2-methoxyethyl 1-benzyl-4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2044-5845 Screening compound: 2-methoxyethyl 1-benzyl-4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2044-5845 Screening compound: 2-methoxyethyl 1-benzyl-4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-5845
2-methoxyethyl 1-benzyl-4-[4-(benzyloxy)phenyl]-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

2044-5845

Molecular Formula

C29H30N2O5 (C29 H30 N2 O5)

Compound Name

2-methoxyethyl 1-benzyl-4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methoxyethyl 1-benzyl-4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(Cc1ccccc1)C(NC1c(cc2)ccc2OCc2ccccc2)=O)=C1C(OCCOC)=O

InChI

InChI=1S/C29H30N2O5/c1-21-26(28(32)35-18-17-34-2)27(30-29(33)31(21)19-22-9-5-3-6-10-22)24-13-15-25(16-14-24)36-20-23-11-7-4-8-12-23/h3-16,27H,17-20H2,1-2H3,(H,30,33)/t27-/m1/s1

InChI Key

INQLSAHRKAVUNW-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD01534722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.52

Polar Surface Area

64.256

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

2044-5845 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2044-5845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-5845?
Check Price and Availability of 2044-5845, 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 2044-5845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-5845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-5845
  • 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 2044-5845 available by request