0167-0082 Screening compound: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutanoic acid

0167-0082 Screening compound: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutanoic acid
0167-0082 Screening compound: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0082
4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutanoic 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

0167-0082

Molecular Formula

C13H16N2O5 (C13 H16 N2 O5)

Compound Name

4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutanoic acid

IUPAC name

4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutanoic acid

SMILES

OC(CCC(N(CC1)CCN1C(c1ccco1)=O)=O)=O

InChI

InChI=1S/C13H16N2O5/c16-11(3-4-12(17)18)14-5-7-15(8-6-14)13(19)10-2-1-9-20-10/h1-2,9H,3-8H2,(H,17,18)

InChI Key

PNEQJCQAOHOSJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.709

Distribution Coefficient, logD

-3.659

Water Solubility, LogSw

-0.89

Polar Surface Area

70.049

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0167-0082 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

Arginase Targeted Library (2009 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others
  • Others

References: we are preparing a list of scientific research reports with 0167-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0082?
Check Price and Availability of 0167-0082, 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 0167-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0082
  • 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 0167-0082 available by request