8014-2377 Screening compound: 3-[4-(tetrahydro-2-furanylcarbonyl)piperazino]-1(3H)-isobenzofuranone

8014-2377 Screening compound: 3-[4-(tetrahydro-2-furanylcarbonyl)piperazino]-1(3H)-isobenzofuranone
8014-2377 Screening compound: 3-[4-(tetrahydro-2-furanylcarbonyl)piperazino]-1(3H)-isobenzofuranone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2377
3-[4-(tetrahydro-2-furanylcarbonyl)piperazino]-1(3H)-isobenzofuranone

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

8014-2377

Molecular Formula

C17H20N2O4 (C17 H20 N2 O4)

Compound Name

3-[4-(tetrahydro-2-furanylcarbonyl)piperazino]-1(3H)-isobenzofuranone

IUPAC name

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-13-dihydro-2-benzofuran-1-one

SMILES

O=C(C1OCCC1)N(CC1)CCN1C(c1c2cccc1)OC2=O

InChI

InChI=1S/C17H20N2O4/c20-15(14-6-3-11-22-14)18-7-9-19(10-8-18)16-12-4-1-2-5-13(12)17(21)23-16/h1-2,4-5,14,16H,3,6-11H2

InChI Key

ACUNJJKADMFOCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03612681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.539

Distribution Coefficient, logD

0.449

Water Solubility, LogSw

-2.05

Polar Surface Area

49.921

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

8014-2377 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-2377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2377?
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What is the minimum amount of 8014-2377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2377
  • 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 8014-2377 available by request