4593-7724 Screening compound: prop-2-en-1-yl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4593-7724 Screening compound: prop-2-en-1-yl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4593-7724 Screening compound: prop-2-en-1-yl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-7724
prop-2-en-1-yl 4-(4-hydroxy-3-methoxyphenyl)-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

4593-7724

Molecular Formula

C16H18N2O5 (C16 H18 N2 O5)

Compound Name

prop-2-en-1-yl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

prop-2-en-1-yl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)cc(OC)c2O)=O)=C1C(OCC=C)=O

InChI

InChI=1S/C16H18N2O5/c1-4-7-23-15(20)13-9(2)17-16(21)18-14(13)10-5-6-11(19)12(8-10)22-3/h4-6,8,14,19H,1,7H2,2-3H3,(H2,17,18,21)/t14-/m1/s1

InChI Key

ZGOYENBAJJKRMN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00512801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.894

Distribution Coefficient, logD

0.805

Water Solubility, LogSw

-1.84

Polar Surface Area

80.918

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4593-7724 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4593-7724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-7724?
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What is the minimum amount of 4593-7724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-7724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-7724
  • 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 4593-7724 available by request