1716-1937 Screening compound: methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1716-1937 Screening compound: methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1716-1937 Screening compound: methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1937
methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-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

1716-1937

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)ccc2OCc2ccccc2)=S)=C1C(OC)=O

InChI

InChI=1S/C20H20N2O3S/c1-13-17(19(23)24-2)18(22-20(26)21-13)15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H2,21,22,26)/t18-/m1/s1

InChI Key

YNUFUDUTDPPBOC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00718230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-3.52

Polar Surface Area

51.076

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1716-1937 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1716-1937 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1716-1937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1937
  • 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 1716-1937 available by request