K786-4720 Screening compound: 4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-3'-[4-(propan-2-yl)benzoyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one

K786-4720 Screening compound: 4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-3'-[4-(propan-2-yl)benzoyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one
K786-4720 Screening compound: 4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-3'-[4-(propan-2-yl)benzoyl]-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4720
4'-(furan-2-yl)-1'-methyl-1-[(2-methylphenyl)methyl]-3'-[4-(propan-2-yl)benzoyl]-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

K786-4720

Molecular Formula

C34H34N2O3 (C34 H34 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C34H34N2O3/c1-22(2)24-15-17-25(18-16-24)32(37)31-27(30-14-9-19-39-30)21-35(4)34(31)28-12-7-8-13-29(28)36(33(34)38)20-26-11-6-5-10-23(26)3/h5-19,22,27,31H,20-21H2,1-4H3

InChI Key

VFYDLZMBKCOEOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.296

Distribution Coefficient, logD

7.296

Water Solubility, LogSw

-5.51

Polar Surface Area

40.345

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

29.40

K786-4720 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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
  • 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 K786-4720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4720?
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What is the minimum amount of K786-4720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4720
  • 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 K786-4720 available by request