8015-9396 Screening compound: ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate

8015-9396 Screening compound: ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate
8015-9396 Screening compound: ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9396
ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}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

8015-9396

Molecular Formula

C19H21N3O6 (C19 H21 N3 O6)

Compound Name

ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

n/a

SMILES

CCOC(N(CC1)CCN1C(C(N1c(cc2)ccc2C(OC)=O)=O)=CC1=O)=O

InChI

InChI=1S/C19H21N3O6/c1-3-28-19(26)21-10-8-20(9-11-21)15-12-16(23)22(17(15)24)14-6-4-13(5-7-14)18(25)27-2/h4-7,12H,3,8-11H2,1-2H3

InChI Key

VMMQIXVPVDDMBA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.389

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-2.00

Polar Surface Area

76.562

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 8015-9396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9396?
Check Price and Availability of 8015-9396, 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 8015-9396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9396
  • 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 8015-9396 available by request