F184-3467 Screening compound: 2-ethyl-6-methyl-7-{[3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F184-3467 Screening compound: 2-ethyl-6-methyl-7-{[3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F184-3467 Screening compound: 2-ethyl-6-methyl-7-{[3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F184-3467
2-ethyl-6-methyl-7-{[3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-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

F184-3467

Molecular Formula

C26H31N3O5S (C26 H31 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC1Oc2cc(S(N(CCC3)CC3C(N(CC3)Cc4c3cccc4)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C26H31N3O5S/c1-3-22-25(30)27-21-13-17(2)24(14-23(21)34-22)35(32,33)29-11-6-9-20(16-29)26(31)28-12-10-18-7-4-5-8-19(18)15-28/h4-5,7-8,13-14,20,22H,3,6,9-12,15-16H2,1-2H3,(H,27,30)

InChI Key

UTRLJJVRSFPKHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27107834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.45

Polar Surface Area

80.996

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

F184-3467 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with F184-3467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F184-3467?
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What is the minimum amount of F184-3467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F184-3467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F184-3467
  • 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 F184-3467 available by request