2221-0216 Screening compound: ethyl 6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2221-0216 Screening compound: ethyl 6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2221-0216 Screening compound: ethyl 6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2221-0216
ethyl 6-methyl-4-(naphthalen-1-yl)-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

2221-0216

Molecular Formula

C18H18N2O2S (C18 H18 N2 O2 S)

Compound Name

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

IUPAC name

ethyl 6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccc2ccccc12)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C18H18N2O2S/c1-3-22-17(21)15-11(2)19-18(23)20-16(15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,16H,3H2,1-2H3,(H2,19,20,23)/t16-/m1/s1

InChI Key

XHTZMFJEIVOZBG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00605697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.72

Polar Surface Area

43.156

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

2221-0216 in Drug Discovery

Included in Screening Libraries

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 2221-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2221-0216?
Check Price and Availability of 2221-0216, 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 2221-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2221-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2221-0216
  • 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 2221-0216 available by request