0730-0065 Screening compound: ethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0730-0065 Screening compound: ethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0730-0065 Screening compound: ethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0730-0065
ethyl 4-[4-(dimethylamino)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

0730-0065

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1N(C)C)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C16H21N3O2S/c1-5-21-15(20)13-10(2)17-16(22)18-14(13)11-6-8-12(9-7-11)19(3)4/h6-9,14H,5H2,1-4H3,(H2,17,18,22)/t14-/m1/s1

InChI Key

UZVCADMHFJWQMP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00228490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.396

Distribution Coefficient, logD

2.366

Water Solubility, LogSw

-2.81

Polar Surface Area

46.233

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

0730-0065 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0730-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0730-0065?
Check Price and Availability of 0730-0065, 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 0730-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0730-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0730-0065
  • 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 0730-0065 available by request