8011-8777 Screening compound: butan-2-yl 4-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8011-8777 Screening compound: butan-2-yl 4-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8011-8777 Screening compound: butan-2-yl 4-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8777
butan-2-yl 4-(3-hydroxy-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

8011-8777

Molecular Formula

C17H22N2O5 (C17 H22 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)OC(C(C(c(cc1)cc(O)c1OC)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C17H22N2O5/c1-5-9(2)24-16(21)14-10(3)18-17(22)19-15(14)11-6-7-13(23-4)12(20)8-11/h6-9,15,20H,5H2,1-4H3,(H2,18,19,22)

InChI Key

KVMXBTXKCXUROE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

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

2.260

Distribution Coefficient, logD

2.110

Water Solubility, LogSw

-2.86

Polar Surface Area

80.186

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

8011-8777 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8011-8777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8777?
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What is the minimum amount of 8011-8777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8777
  • 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 8011-8777 available by request