Y031-9204 Screening compound: ethyl 4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate

Y031-9204 Screening compound: ethyl 4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate
Y031-9204 Screening compound: ethyl 4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9204
ethyl 4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}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

Y031-9204

Molecular Formula

C18H19Cl2N3O4 (C18 H19 Cl2 N3 O4)

Compound Name

ethyl 4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(C)onc1-c(c(Cl)ccc1)c1Cl)=O)=O

InChI

InChI=1S/C18H19Cl2N3O4/c1-3-26-18(25)23-9-7-22(8-10-23)17(24)14-11(2)27-21-16(14)15-12(19)5-4-6-13(15)20/h4-6H,3,7-10H2,1-2H3

InChI Key

XXGHEZZXXAMJHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.63

Polar Surface Area

61.627

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with Y031-9204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9204?
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What is the minimum amount of Y031-9204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9204
  • 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 Y031-9204 available by request