4964-0166 Screening compound: ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]tetrahydro-1(2H)-pyrazinecarboxylate

4964-0166 Screening compound: ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]tetrahydro-1(2H)-pyrazinecarboxylate
4964-0166 Screening compound: ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-0166
ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]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

4964-0166

Molecular Formula

C18H27N3O3 (C18 H27 N3 O3)

Compound Name

ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{2-[(25-dimethylphenyl)carbamoyl]ethyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CCC(Nc2c(C)ccc(C)c2)=O)CC1)=O

InChI

InChI=1S/C18H27N3O3/c1-4-24-18(23)21-11-9-20(10-12-21)8-7-17(22)19-16-13-14(2)5-6-15(16)3/h5-6,13H,4,7-12H2,1-3H3,(H,19,22)

InChI Key

QABDAZBWKRBAOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

1.759

Water Solubility, LogSw

-2.34

Polar Surface Area

49.181

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

4964-0166 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4964-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-0166?
Check Price and Availability of 4964-0166, 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 4964-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-0166
  • 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 4964-0166 available by request