8008-5189 Screening compound: (2E)-but-2-en-1-yl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8008-5189 Screening compound: (2E)-but-2-en-1-yl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8008-5189 Screening compound: (2E)-but-2-en-1-yl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5189
(2E)-but-2-en-1-yl 4-(4-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

8008-5189

Molecular Formula

C17H20N2O4 (C17 H20 N2 O4)

Compound Name

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

IUPAC name

(2E)-but-2-en-1-yl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

C/C=C/COC(C(C(c(cc1)ccc1OC)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C17H20N2O4/c1-4-5-10-23-16(20)14-11(2)18-17(21)19-15(14)12-6-8-13(22-3)9-7-12/h4-9,15H,10H2,1-3H3,(H2,18,19,21)/t15-/m1/s1

InChI Key

KBEHIJIDYRIWEL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01193699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

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

2.073

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.76

Polar Surface Area

64.283

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8008-5189 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 8008-5189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5189?
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What is the minimum amount of 8008-5189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5189
  • 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 8008-5189 available by request