1716-1864 Screening compound: 2-phenoxyethyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1716-1864 Screening compound: 2-phenoxyethyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1716-1864 Screening compound: 2-phenoxyethyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1864
2-phenoxyethyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

1716-1864

Molecular Formula

C21H21N3O6 (C21 H21 N3 O6)

Compound Name

2-phenoxyethyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-phenoxyethyl 16-dimethyl-4-(4-nitrophenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c(cc2)ccc2[N+]([O-])=O)=O)=C1C(OCCOc1ccccc1)=O

InChI

InChI=1S/C21H21N3O6/c1-14-18(20(25)30-13-12-29-17-6-4-3-5-7-17)19(22-21(26)23(14)2)15-8-10-16(11-9-15)24(27)28/h3-11,19H,12-13H2,1-2H3,(H,22,26)/t19-/m0/s1

InChI Key

JPPWCEWSUKONKG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00718147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.32

Polar Surface Area

89.251

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 1716-1864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1864?
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What is the minimum amount of 1716-1864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1864
  • 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 1716-1864 available by request