3454-0172 Screening compound: ethyl 4,6-diphenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3454-0172 Screening compound: ethyl 4,6-diphenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3454-0172 Screening compound: ethyl 4,6-diphenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-0172
ethyl 4,6-diphenyl-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

3454-0172

Molecular Formula

C19H18N2O2S (C19 H18 N2 O2 S)

Compound Name

ethyl 4,6-diphenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 46-diphenyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1)=C(c2ccccc2)NC1=S)=O

InChI

InChI=1S/C19H18N2O2S/c1-2-23-18(22)15-16(13-9-5-3-6-10-13)20-19(24)21-17(15)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3,(H2,20,21,24)/t16-/m1/s1

InChI Key

IQEZQOIEZJJCDN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00543596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.75

Polar Surface Area

43.658

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-9.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

3454-0172 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3454-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-0172?
Check Price and Availability of 3454-0172, 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 3454-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-0172
  • 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 3454-0172 available by request