1716-1953 Screening compound: ethyl 4-[4-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1716-1953 Screening compound: ethyl 4-[4-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1716-1953 Screening compound: ethyl 4-[4-(benzyloxy)phenyl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1953
ethyl 4-[4-(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

1716-1953

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1OCc1ccccc1)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C22H24N2O4/c1-4-27-21(25)19-15(2)24(3)22(26)23-20(19)17-10-12-18(13-11-17)28-14-16-8-6-5-7-9-16/h5-13,20H,4,14H2,1-3H3,(H,23,26)/t20-/m1/s1

InChI Key

VEZJSAATZYRDTM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00718228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.49

Polar Surface Area

55.656

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

1716-1953 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1716-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1953?
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What is the minimum amount of 1716-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1953
  • 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 1716-1953 available by request