P681-0168 Screening compound: 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one

P681-0168 Screening compound: 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
P681-0168 Screening compound: 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P681-0168
1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1,2-dihydrospiro[indole-3,3'-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

P681-0168

Molecular Formula

C21H21ClN2O4 (C21 H21 ClN2 O4)

Compound Name

1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one

IUPAC name

1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxy-12-dihydrospiro[indole-33'-pyrrolidin]-2-one

SMILES

COc(cc1)cc(C2(CC3)CN3C(Cc(cc3)cc(Cl)c3OC)=O)c1NC2=O

InChI

InChI=1S/C21H21ClN2O4/c1-27-14-4-5-17-15(11-14)21(20(26)23-17)7-8-24(12-21)19(25)10-13-3-6-18(28-2)16(22)9-13/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,23,26)/t21-/m0/s1

InChI Key

POFWMCJRKYKAQV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27611436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.57

Polar Surface Area

56.805

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P681-0168 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P681-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P681-0168?
Check Price and Availability of P681-0168, 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 P681-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P681-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P681-0168
  • 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 P681-0168 available by request