F820-2051 Screening compound: 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

F820-2051 Screening compound: 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
F820-2051 Screening compound: 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F820-2051
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

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

F820-2051

Molecular Formula

C23H22N4O5S (C23 H22 N4 O5 S)

Compound Name

3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[(5-cyclobutyl-124-oxadiazol-3-yl)methyl]-6-(1234-tetrahydroisoquinoline-2-sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

O=C1Oc(cc(cc2)S(N(CC3)Cc4c3cccc4)(=O)=O)c2N1Cc1noc(C2CCC2)n1

InChI

InChI=1S/C23H22N4O5S/c28-23-27(14-21-24-22(32-25-21)16-6-3-7-16)19-9-8-18(12-20(19)31-23)33(29,30)26-11-10-15-4-1-2-5-17(15)13-26/h1-2,4-5,8-9,12,16H,3,6-7,10-11,13-14H2

InChI Key

AUQQRUDTKRBTBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.612

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.84

Polar Surface Area

87.631

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F820-2051 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F820-2051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F820-2051?
Check Price and Availability of F820-2051, 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 F820-2051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F820-2051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F820-2051
  • 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 F820-2051 available by request