F632-0086 Screening compound: 6-methyl-7-{[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F632-0086 Screening compound: 6-methyl-7-{[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F632-0086 Screening compound: 6-methyl-7-{[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0086
6-methyl-7-{[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-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

F632-0086

Molecular Formula

C23H25N3O5S (C23 H25 N3 O5 S)

Compound Name

6-methyl-7-{[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-methyl-7-{[2-(1234-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(CCC1)C1C(N(CC1)Cc2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C23H25N3O5S/c1-15-11-18-20(31-14-22(27)24-18)12-21(15)32(29,30)26-9-4-7-19(26)23(28)25-10-8-16-5-2-3-6-17(16)13-25/h2-3,5-6,11-12,19H,4,7-10,13-14H2,1H3,(H,24,27)/t19-/m0/s1

InChI Key

KGXIBLHKUJWDPS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27180373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

1.875

Water Solubility, LogSw

-2.69

Polar Surface Area

82.367

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

F632-0086 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F632-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0086?
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What is the minimum amount of F632-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0086
  • 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 F632-0086 available by request