6528-0003 Screening compound: 3'-(4-fluorobenzoyl)-4'-hydroxy-1'-(2-methoxyethyl)-1-methylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione

6528-0003 Screening compound: 3'-(4-fluorobenzoyl)-4'-hydroxy-1'-(2-methoxyethyl)-1-methylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione
6528-0003 Screening compound: 3'-(4-fluorobenzoyl)-4'-hydroxy-1'-(2-methoxyethyl)-1-methylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0003
3'-(4-fluorobenzoyl)-4'-hydroxy-1'-(2-methoxyethyl)-1-methylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-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

6528-0003

Molecular Formula

C22H19FN2O5 (C22 H19 FN2 O5)

Compound Name

3'-(4-fluorobenzoyl)-4'-hydroxy-1'-(2-methoxyethyl)-1-methylspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione

IUPAC name

3'-(4-fluorobenzoyl)-4'-hydroxy-1'-(2-methoxyethyl)-1-methyl-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CN(C(C1(C(C(c(cc2)ccc2F)=O)=C2O)N(CCOC)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C22H19FN2O5/c1-24-16-6-4-3-5-15(16)22(21(24)29)17(18(26)13-7-9-14(23)10-8-13)19(27)20(28)25(22)11-12-30-2/h3-10,27H,11-12H2,1-2H3/t22-/m0/s1

InChI Key

WQWMPWIKSDFTNT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04446885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

1.833

Water Solubility, LogSw

-2.63

Polar Surface Area

68.359

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

6528-0003 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6528-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0003?
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What is the minimum amount of 6528-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0003
  • 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 6528-0003 available by request