1716-1865 Screening compound: 2-phenoxyethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1716-1865 Screening compound: 2-phenoxyethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1716-1865 Screening compound: 2-phenoxyethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1865
2-phenoxyethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-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

1716-1865

Molecular Formula

C28H28N2O5 (C28 H28 N2 O5)

Compound Name

2-phenoxyethyl 4-[2-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-phenoxyethyl 4-[2-(benzyloxy)phenyl]-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c(cccc2)c2OCc2ccccc2)=O)=C1C(OCCOc1ccccc1)=O

InChI

InChI=1S/C28H28N2O5/c1-20-25(27(31)34-18-17-33-22-13-7-4-8-14-22)26(29-28(32)30(20)2)23-15-9-10-16-24(23)35-19-21-11-5-3-6-12-21/h3-16,26H,17-19H2,1-2H3,(H,29,32)/t26-/m1/s1

InChI Key

JBEBRMIWCIVNJO-AREMUKBSSA-N

MDL Number (MFCD)

MFCD00718157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.820

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.84

Polar Surface Area

63.183

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

1716-1865 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 1716-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1865?
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What is the minimum amount of 1716-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1865
  • 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 1716-1865 available by request