D236-0030 Screening compound: 2-{1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl}acetic acid

D236-0030 Screening compound: 2-{1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl}acetic acid
D236-0030 Screening compound: 2-{1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D236-0030
2-{1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl}acetic acid

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

D236-0030

Molecular Formula

C12H16N2O4 (C12 H16 N2 O4)

Compound Name

2-{1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl}acetic acid

IUPAC name

2-{1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl}acetic acid

SMILES

Cc1ccc(CN(CCN2)C(CC(O)=O)C2=O)o1

InChI

InChI=1S/C12H16N2O4/c1-8-2-3-9(18-8)7-14-5-4-13-12(17)10(14)6-11(15)16/h2-3,10H,4-7H2,1H3,(H,13,17)(H,15,16)/t10-/m0/s1

InChI Key

WZNUTYXPWKUFMM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05666758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.328

Distribution Coefficient, logD

-3.278

Water Solubility, LogSw

-1.58

Polar Surface Area

64.334

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D236-0030 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D236-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D236-0030?
Check Price and Availability of D236-0030, 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 D236-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D236-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D236-0030
  • 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 D236-0030 available by request