4302-2279 Screening compound: ethyl 4-[(4-methoxyanilino)carbothioyl]tetrahydro-1(2H)-pyrazinecarboxylate

4302-2279 Screening compound: ethyl 4-[(4-methoxyanilino)carbothioyl]tetrahydro-1(2H)-pyrazinecarboxylate
4302-2279 Screening compound: ethyl 4-[(4-methoxyanilino)carbothioyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4302-2279
ethyl 4-[(4-methoxyanilino)carbothioyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

4302-2279

Molecular Formula

C15H21N3O3S (C15 H21 N3 O3 S)

Compound Name

ethyl 4-[(4-methoxyanilino)carbothioyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[(4-methoxyphenyl)carbamothioyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(Nc(cc1)ccc1OC)=S)=O

InChI

InChI=1S/C15H21N3O3S/c1-3-21-15(19)18-10-8-17(9-11-18)14(22)16-12-4-6-13(20-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,16,22)

InChI Key

WXRCMXVCPRQGFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02827595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.27

Polar Surface Area

41.461

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

4302-2279 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4302-2279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4302-2279?
Check Price and Availability of 4302-2279, 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 4302-2279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4302-2279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4302-2279
  • 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 4302-2279 available by request