D364-0870 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-0870 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-benzyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-0870 Screening compound: 5-[1-acetyl-5-(3-nitrophenyl)-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 D364-0870
5-[1-acetyl-5-(3-nitrophenyl)-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

D364-0870

Molecular Formula

C22H19N5O6 (C22 H19 N5 O6)

Compound Name

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

SMILES

CC(N(C(C1)c2cccc([N+]([O-])=O)c2)N=C1C(C(N(Cc1ccccc1)C(N1)=O)=O)=C1O)=O

InChI

InChI=1S/C22H19N5O6/c1-13(28)26-18(15-8-5-9-16(10-15)27(32)33)11-17(24-26)19-20(29)23-22(31)25(21(19)30)12-14-6-3-2-4-7-14/h2-10,18,29H,11-12H2,1H3,(H,23,31)/t18-/m0/s1

InChI Key

YAPLPKSOEYQWEP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27582198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

-3.056

Water Solubility, LogSw

-2.87

Polar Surface Area

117.648

Acid Dissociation Constant (pKa)

1.99

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D364-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-0870?
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What is the minimum amount of D364-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-0870
  • 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 D364-0870 available by request