4618-0634 Screening compound: 2-methoxyethyl 4-{2-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4618-0634 Screening compound: 2-methoxyethyl 4-{2-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4618-0634 Screening compound: 2-methoxyethyl 4-{2-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4618-0634
2-methoxyethyl 4-{2-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-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

4618-0634

Molecular Formula

C17H17ClN4O5 (C17 H17 ClN4 O5)

Compound Name

2-methoxyethyl 4-{2-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-methoxyethyl 4-{2-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1C(C(N(C=CC=C2)C2=N2)=O)=C2Cl)=O)=C1C(OCCOC)=O

InChI

InChI=1S/C17H17ClN4O5/c1-9-11(16(24)27-8-7-26-2)13(21-17(25)19-9)12-14(18)20-10-5-3-4-6-22(10)15(12)23/h3-6,13H,7-8H2,1-2H3,(H2,19,21,25)/t13-/m0/s1

InChI Key

RGULZYWINVBGFW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01072359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.254

Distribution Coefficient, logD

-0.489

Water Solubility, LogSw

-1.93

Polar Surface Area

89.529

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

4618-0634 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4618-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4618-0634?
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What is the minimum amount of 4618-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4618-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4618-0634
  • 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 4618-0634 available by request