4896-4719 Screening compound: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4896-4719 Screening compound: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4896-4719 Screening compound: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4719
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-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

4896-4719

Molecular Formula

C16H19BrN2O5 (C16 H19 BrN2 O5)

Compound Name

methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOc1cc(C(C(C(OC)=O)=C(C)N2C)NC2=O)cc(Br)c1O

InChI

InChI=1S/C16H19BrN2O5/c1-5-24-11-7-9(6-10(17)14(11)20)13-12(15(21)23-4)8(2)19(3)16(22)18-13/h6-7,13,20H,5H2,1-4H3,(H,18,22)/t13-/m0/s1

InChI Key

DHSQYFUMGHBRNV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03080232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.278

Water Solubility, LogSw

-2.33

Polar Surface Area

71.538

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

4896-4719 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4896-4719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4719?
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What is the minimum amount of 4896-4719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4719
  • 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 4896-4719 available by request