K906-2563 Screening compound: 3-ethoxy-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione

K906-2563 Screening compound: 3-ethoxy-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
K906-2563 Screening compound: 3-ethoxy-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2563
3-ethoxy-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione

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

K906-2563

Molecular Formula

C10H13NO3 (C10 H13 NO3)

Compound Name

3-ethoxy-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione

IUPAC name

3-ethoxy-4-(pyrrolidin-1-yl)cyclobut-3-ene-12-dione

SMILES

CCOC(C(C1=O)=O)=C1N1CCCC1

InChI

InChI=1S/C10H13NO3/c1-2-14-10-7(8(12)9(10)13)11-5-3-4-6-11/h2-6H2,1H3

InChI Key

BOYLLRZIBXPBDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00204777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.570

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-1.39

Polar Surface Area

38.233

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K906-2563 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K906-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2563?
Check Price and Availability of K906-2563, 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 K906-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2563
  • 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 K906-2563 available by request