8016-0385 Screening compound: 1-(4-fluorobenzyl)-5'-(2-methoxyphenyl)-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

8016-0385 Screening compound: 1-(4-fluorobenzyl)-5'-(2-methoxyphenyl)-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
8016-0385 Screening compound: 1-(4-fluorobenzyl)-5'-(2-methoxyphenyl)-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 8016-0385
1-(4-fluorobenzyl)-5'-(2-methoxyphenyl)-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

8016-0385

Molecular Formula

C28H24FN3O4 (C28 H24 FN3 O4)

Compound Name

1-(4-fluorobenzyl)-5'-(2-methoxyphenyl)-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

1-[(4-fluorophenyl)methyl]-5'-(2-methoxyphenyl)-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(N2c(cccc3)c3OC)=O)C2=O)NC1(c(cccc1)c1N1Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C28H24FN3O4/c1-16-23-24(26(34)32(25(23)33)21-9-5-6-10-22(21)36-2)28(30-16)19-7-3-4-8-20(19)31(27(28)35)15-17-11-13-18(29)14-12-17/h3-14,16,23-24,30H,15H2,1-2H3

InChI Key

RJHHXLKNASKUTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.139

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.64

Polar Surface Area

64.726

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

8016-0385 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0385?
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What is the minimum amount of 8016-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0385
  • 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 8016-0385 available by request