8016-9397 Screening compound: ethyl 4-[2-(3-chloroanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxylate

8016-9397 Screening compound: ethyl 4-[2-(3-chloroanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxylate
8016-9397 Screening compound: ethyl 4-[2-(3-chloroanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9397
ethyl 4-[2-(3-chloroanilino)-2-oxoethyl]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

8016-9397

Molecular Formula

C15H20ClN3O3 (C15 H20 ClN3 O3)

Compound Name

ethyl 4-[2-(3-chloroanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{[(3-chlorophenyl)carbamoyl]methyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CC(Nc2cccc(Cl)c2)=O)CC1)=O

InChI

InChI=1S/C15H20ClN3O3/c1-2-22-15(21)19-8-6-18(7-9-19)11-14(20)17-13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3,(H,17,20)

InChI Key

KWHCCGQHSUMLTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860432

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.79

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

2.980

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.44

Polar Surface Area

49.900

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

References: we are preparing a list of scientific research reports with 8016-9397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9397?
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What is the minimum amount of 8016-9397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9397
  • 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 8016-9397 available by request