7148-0032 Screening compound: 2-{3'-ethyl-2,4',6'-trioxo-5'-phenyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1-yl}-N-phenylacetamide

7148-0032 Screening compound: 2-{3'-ethyl-2,4',6'-trioxo-5'-phenyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1-yl}-N-phenylacetamide
7148-0032 Screening compound: 2-{3'-ethyl-2,4',6'-trioxo-5'-phenyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7148-0032
2-{3'-ethyl-2,4',6'-trioxo-5'-phenyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1-yl}-N-phenylacetamide

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

7148-0032

Molecular Formula

C29H26N4O4 (C29 H26 N4 O4)

Compound Name

2-{3'-ethyl-2,4',6'-trioxo-5'-phenyl-1,2,3',3'a,4',5',6',6'a-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1-yl}-N-phenylacetamide

IUPAC name

2-{3'-ethyl-24'6'-trioxo-5'-phenyl-123'3'a4'5'6'6'a-octahydro-2'H-spiro[indole-31'-pyrrolo[34-c]pyrrol]-1-yl}-N-phenylacetamide

SMILES

CCC(C(C1C(N2c3ccccc3)=O)C2=O)NC1(c(cccc1)c1N1CC(Nc2ccccc2)=O)C1=O

InChI

InChI=1S/C29H26N4O4/c1-2-21-24-25(27(36)33(26(24)35)19-13-7-4-8-14-19)29(31-21)20-15-9-10-16-22(20)32(28(29)37)17-23(34)30-18-11-5-3-6-12-18/h3-16,21,24-25,31H,2,17H2,1H3,(H,30,34)

InChI Key

WTALPIWUUSKFGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.61

Polar Surface Area

81.153

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

24.10

7148-0032 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7148-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7148-0032?
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What is the minimum amount of 7148-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7148-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7148-0032
  • 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 7148-0032 available by request