E920-0898 Screening compound: 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

E920-0898 Screening compound: 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
E920-0898 Screening compound: 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0898
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

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

E920-0898

Molecular Formula

C17H19N3O4 (C17 H19 N3 O4)

Compound Name

3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

IUPAC name

3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4567-tetrahydro-12-benzoxazole

SMILES

O=C(c1ccco1)N(CC1)CCN1C(c1noc2c1CCCC2)=O

InChI

InChI=1S/C17H19N3O4/c21-16(14-6-3-11-23-14)19-7-9-20(10-8-19)17(22)15-12-4-1-2-5-13(12)24-18-15/h3,6,11H,1-2,4-5,7-10H2

InChI Key

HSULSORNXSJECH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04137843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.195

Distribution Coefficient, logD

1.195

Water Solubility, LogSw

-1.51

Polar Surface Area

64.321

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

E920-0898 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E920-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0898?
Check Price and Availability of E920-0898, 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 E920-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0898
  • 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 E920-0898 available by request