D364-0016 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-0016 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-0016 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-0016
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

D364-0016

Molecular Formula

C16H16N4O5 (C16 H16 N4 O5)

Compound Name

5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-[5-(2H-13-benzodioxol-5-yl)-45-dihydro-1H-pyrazol-3-yl]-6-hydroxy-13-dimethyl-1234-tetrahydropyrimidine-24-dione

SMILES

CN(C(C(C(C1)=NNC1c(cc1)cc2c1OCO2)=C(N1C)O)=O)C1=O

InChI

InChI=1S/C16H16N4O5/c1-19-14(21)13(15(22)20(2)16(19)23)10-6-9(17-18-10)8-3-4-11-12(5-8)25-7-24-11/h3-5,9,17,21H,6-7H2,1-2H3/t9-/m1/s1

InChI Key

YZISVORKTUWDBV-SECBINFHSA-N

MDL Number (MFCD)

MFCD27581902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.201

Distribution Coefficient, logD

-3.238

Water Solubility, LogSw

-1.98

Polar Surface Area

89.648

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D364-0016 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0016?
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What is the minimum amount of D364-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0016
  • 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 D364-0016 available by request