6528-0271 Screening compound: 1-butyl-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-3'-[4-(prop-2-en-1-yloxy)benzoyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

6528-0271 Screening compound: 1-butyl-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-3'-[4-(prop-2-en-1-yloxy)benzoyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione
6528-0271 Screening compound: 1-butyl-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-3'-[4-(prop-2-en-1-yloxy)benzoyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6528-0271
1-butyl-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-3'-[4-(prop-2-en-1-yloxy)benzoyl]-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

6528-0271

Molecular Formula

C30H32N2O6 (C30 H32 N2 O6)

Compound Name

1-butyl-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-3'-[4-(prop-2-en-1-yloxy)benzoyl]-1,1',2,5'-tetrahydrospiro[indole-3,2'-pyrrole]-2,5'-dione

IUPAC name

1-butyl-4'-hydroxy-1'-[(oxolan-2-yl)methyl]-3'-[4-(prop-2-en-1-yloxy)benzoyl]-11'25'-tetrahydrospiro[indole-32'-pyrrole]-25'-dione

SMILES

CCCCN(C(C1(C(C(c(cc2)ccc2OCC=C)=O)=C2O)N(CC3OCCC3)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C30H32N2O6/c1-3-5-16-31-24-11-7-6-10-23(24)30(29(31)36)25(26(33)20-12-14-21(15-13-20)37-17-4-2)27(34)28(35)32(30)19-22-9-8-18-38-22/h4,6-7,10-15,22,34H,2-3,5,8-9,16-19H2,1H3

InChI Key

UEHUUSMPPDKUKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-3.97

Polar Surface Area

76.051

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

6528-0271 in Drug Discovery

Included in Screening Libraries

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 6528-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6528-0271?
Check Price and Availability of 6528-0271, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6528-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6528-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6528-0271
  • 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 6528-0271 available by request