F089-0042 Screening compound: methyl 10-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

F089-0042 Screening compound: methyl 10-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
F089-0042 Screening compound: methyl 10-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F089-0042
methyl 10-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

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

F089-0042

Molecular Formula

C26H20N2O6S (C26 H20 N2 O6 S)

Compound Name

methyl 10-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

methyl 9-[(5-methyl-2-phenyl-13-oxazol-4-yl)methyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxylate

SMILES

Cc1c(CN(c(cc(cc2)C(OC)=O)c2S(c2c3cccc2)(=O)=O)C3=O)nc(-c2ccccc2)o1

InChI

InChI=1S/C26H20N2O6S/c1-16-20(27-24(34-16)17-8-4-3-5-9-17)15-28-21-14-18(26(30)33-2)12-13-23(21)35(31,32)22-11-7-6-10-19(22)25(28)29/h3-14H,15H2,1-2H3

InChI Key

GPYUOPRGRFNBLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27101192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.010

Water Solubility, LogSw

-4.33

Polar Surface Area

83.677

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

F089-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F089-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F089-0042?
Check Price and Availability of F089-0042, 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 F089-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F089-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F089-0042
  • 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 F089-0042 available by request