D364-0857 Screening compound: 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-0857 Screening compound: 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-0857 Screening compound: 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-0857
5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-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

D364-0857

Molecular Formula

C23H22N4O6 (C23 H22 N4 O6)

Compound Name

5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)-45-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1234-tetrahydropyrimidine-24-dione

SMILES

CC(N(C(C1)c(cc2)cc(O)c2OC)N=C1C(C(N(Cc1ccccc1)C(N1)=O)=O)=C1O)=O

InChI

InChI=1S/C23H22N4O6/c1-13(28)27-17(15-8-9-19(33-2)18(29)10-15)11-16(25-27)20-21(30)24-23(32)26(22(20)31)12-14-6-4-3-5-7-14/h3-10,17,29-30H,11-12H2,1-2H3,(H,24,32)/t17-/m1/s1

InChI Key

HFPFGUIBUAVXRO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27582191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

-3.520

Water Solubility, LogSw

-2.58

Polar Surface Area

108.445

Acid Dissociation Constant (pKa)

1.99

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D364-0857 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0857?
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What is the minimum amount of D364-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0857
  • 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 D364-0857 available by request