K786-4719 Screening compound: 3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one

K786-4719 Screening compound: 3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one
K786-4719 Screening compound: 3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4719
3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-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

K786-4719

Molecular Formula

C33H32N2O4 (C33 H32 N2 O4)

Compound Name

3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one

IUPAC name

3'-(4-ethoxybenzoyl)-4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-12-dihydrospiro[indole-32'-pyrrolidin]-2-one

SMILES

CCOc(cc1)ccc1C(C1C(c(cccc2)c2N2Cc3c(C)cccc3)(C2=O)N(C)CC1c1ccco1)=O

InChI

InChI=1S/C33H32N2O4/c1-4-38-25-17-15-23(16-18-25)31(36)30-26(29-14-9-19-39-29)21-34(3)33(30)27-12-7-8-13-28(27)35(32(33)37)20-24-11-6-5-10-22(24)2/h5-19,26,30H,4,20-21H2,1-3H3

InChI Key

YWGYKJYUCFXMNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.327

Distribution Coefficient, logD

6.327

Water Solubility, LogSw

-5.39

Polar Surface Area

47.469

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

27.30

K786-4719 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Hsp90-Targeted Library (11355 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-4719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4719?
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What is the minimum amount of K786-4719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4719
  • 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 K786-4719 available by request