D364-0121 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-0121 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-0121 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-0121
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-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

D364-0121

Molecular Formula

C18H20N4O5 (C18 H20 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C(C(C1)=NNC1c(cc1)cc2c1OCO2)=C(N1)O)=O)C1=O

InChI

InChI=1S/C18H20N4O5/c1-2-3-6-22-17(24)15(16(23)19-18(22)25)12-8-11(20-21-12)10-4-5-13-14(7-10)27-9-26-13/h4-5,7,11,20,23H,2-3,6,8-9H2,1H3,(H,19,25)/t11-/m1/s1

InChI Key

MYHKLKISEKEDID-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27581943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.175

Distribution Coefficient, logD

-3.087

Water Solubility, LogSw

-2.93

Polar Surface Area

98.337

Acid Dissociation Constant (pKa)

2.09

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D364-0121 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0121?
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What is the minimum amount of D364-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0121
  • 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 D364-0121 available by request