8020-5107 Screening compound: 3'-(4-chlorobenzoyl)-1'-(2,2-dimethoxyethyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

8020-5107 Screening compound: 3'-(4-chlorobenzoyl)-1'-(2,2-dimethoxyethyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
8020-5107 Screening compound: 3'-(4-chlorobenzoyl)-1'-(2,2-dimethoxyethyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5107
3'-(4-chlorobenzoyl)-1'-(2,2-dimethoxyethyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

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

8020-5107

Molecular Formula

C22H19ClN2O6 (C22 H19 ClN2 O6)

Compound Name

3'-(4-chlorobenzoyl)-1'-(2,2-dimethoxyethyl)-4'-hydroxy-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

3'-(4-chlorobenzoyl)-1'-(22-dimethoxyethyl)-4'-hydroxy-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

COC(CN(C(c(cccc1)c1N1)(C(C(c(cc2)ccc2Cl)=O)=C2O)C1=O)C2=O)OC

InChI

InChI=1S/C22H19ClN2O6/c1-30-16(31-2)11-25-20(28)19(27)17(18(26)12-7-9-13(23)10-8-12)22(25)14-5-3-4-6-15(14)24-21(22)29/h3-10,16,27H,11H2,1-2H3,(H,24,29)/t22-/m0/s1

InChI Key

GEXPCDHRHZTVFP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD25975997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.86

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

2.225

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-3.50

Polar Surface Area

85.270

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

8020-5107 in Drug Discovery

Included in Screening Libraries

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 8020-5107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5107?
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What is the minimum amount of 8020-5107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5107
  • 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 8020-5107 available by request