C748-1219 Screening compound: ethyl 4-{3,4-dioxo-2-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-1-en-1-yl}piperazine-1-carboxylate

C748-1219 Screening compound: ethyl 4-{3,4-dioxo-2-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-1-en-1-yl}piperazine-1-carboxylate
C748-1219 Screening compound: ethyl 4-{3,4-dioxo-2-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-1-en-1-yl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-1219
ethyl 4-{3,4-dioxo-2-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-1-en-1-yl}piperazine-1-carboxylate

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

C748-1219

Molecular Formula

C20H25N5O4 (C20 H25 N5 O4)

Compound Name

ethyl 4-{3,4-dioxo-2-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-1-en-1-yl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{34-dioxo-2-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-1-en-1-yl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C1=O)=O)=C1N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C20H25N5O4/c1-2-29-20(28)25-13-11-24(12-14-25)17-16(18(26)19(17)27)23-9-7-22(8-10-23)15-5-3-4-6-21-15/h3-6H,2,7-14H2,1H3

InChI Key

HQXOSLPSKFHEQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.32

Polar Surface Area

68.348

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C748-1219 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C748-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-1219?
Check Price and Availability of C748-1219, 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 C748-1219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-1219
  • 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 C748-1219 available by request