D364-0842 Screening compound: 5-[1-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-0842 Screening compound: 5-[1-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-0842 Screening compound: 5-[1-acetyl-5-(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 D364-0842
5-[1-acetyl-5-(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

D364-0842

Molecular Formula

C23H22N4O5 (C23 H22 N4 O5)

Compound Name

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

SMILES

CC(N(C(C1)c(cc2)ccc2OC)N=C1C(C(N(Cc1ccccc1)C(N1)=O)=O)=C1O)=O

InChI

InChI=1S/C23H22N4O5/c1-14(28)27-19(16-8-10-17(32-2)11-9-16)12-18(25-27)20-21(29)24-23(31)26(22(20)30)13-15-6-4-3-5-7-15/h3-11,19,29H,12-13H2,1-2H3,(H,24,31)/t19-/m1/s1

InChI Key

HWKVMKCWEOBUGQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27582178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

-2.948

Water Solubility, LogSw

-2.69

Polar Surface Area

91.810

Acid Dissociation Constant (pKa)

1.99

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D364-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0842?
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What is the minimum amount of D364-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0842
  • 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 D364-0842 available by request