D364-0436 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-0436 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-0436 Screening compound: 5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-0436
5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-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

D364-0436

Molecular Formula

C20H15ClN4O5 (C20 H15 ClN4 O5)

Compound Name

5-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(3-chlorophenyl)-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-(3-chlorophenyl)-6-hydroxy-1234-tetrahydropyrimidine-24-dione

SMILES

OC(NC(N1c2cccc(Cl)c2)=O)=C(C(C2)=NNC2c(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C20H15ClN4O5/c21-11-2-1-3-12(7-11)25-19(27)17(18(26)22-20(25)28)14-8-13(23-24-14)10-4-5-15-16(6-10)30-9-29-15/h1-7,13,23,26H,8-9H2,(H,22,28)/t13-/m1/s1

InChI Key

IRXZVOBOLDONLD-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27582066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

-3.116

Water Solubility, LogSw

-3.41

Polar Surface Area

97.476

Acid Dissociation Constant (pKa)

1.73

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D364-0436 in Drug Discovery

Included in Screening Libraries

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 D364-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0436?
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What is the minimum amount of D364-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0436
  • 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 D364-0436 available by request