1490-0166 Screening compound: ethyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1490-0166 Screening compound: ethyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1490-0166 Screening compound: ethyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0166
ethyl 6-methyl-4-(3-phenoxyphenyl)-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

1490-0166

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

ethyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cc(Oc2ccccc2)ccc1)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C20H20N2O3S/c1-3-24-19(23)17-13(2)21-20(26)22-18(17)14-8-7-11-16(12-14)25-15-9-5-4-6-10-15/h4-12,18H,3H2,1-2H3,(H2,21,22,26)/t18-/m1/s1

InChI Key

JUFJLSBJVQAADM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00640435

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

4.048

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.08

Polar Surface Area

50.176

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1490-0166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1490-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0166?
Check Price and Availability of 1490-0166, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1490-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0166
  • 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 1490-0166 available by request