8016-1260 Screening compound: 5'-benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

8016-1260 Screening compound: 5'-benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
8016-1260 Screening compound: 5'-benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1260
5'-benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

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

8016-1260

Molecular Formula

C31H28N4O4 (C31 H28 N4 O4)

Compound Name

5'-benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

IUPAC name

5'-benzyl-1-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-methyl-123'3'a4'5'6'6'a-octahydro-2'H-spiro[indole-31'-pyrrolo[34-c]pyrrole]-24'6'-trione

SMILES

CC(C(C1C(N2Cc3ccccc3)=O)C2=O)NC1(c(cccc1)c1N1CC(N(CC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C31H28N4O4/c1-19-26-27(29(38)35(28(26)37)17-20-9-3-2-4-10-20)31(32-19)22-12-6-8-14-24(22)34(30(31)39)18-25(36)33-16-15-21-11-5-7-13-23(21)33/h2-14,19,26-27,32H,15-18H2,1H3

InChI Key

MFHRRANWHRMBCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.62

Polar Surface Area

73.431

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

29.03

8016-1260 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-1260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1260?
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What is the minimum amount of 8016-1260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1260
  • 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 8016-1260 available by request