8015-3418 Screening compound: 3-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

8015-3418 Screening compound: 3-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
8015-3418 Screening compound: 3-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3418
3-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

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

8015-3418

Molecular Formula

C20H25BrN2O3 (C20 H25 BrN2 O3)

Compound Name

3-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

IUPAC name

3-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

SMILES

CC(C1(CCCCC1)O1)(N(CCc2c(C)[nH]c(cc3)c2cc3Br)C1=O)O

InChI

InChI=1S/C20H25BrN2O3/c1-13-15(16-12-14(21)6-7-17(16)22-13)8-11-23-18(24)26-20(19(23,2)25)9-4-3-5-10-20/h6-7,12,22,25H,3-5,8-11H2,1-2H3/t19-/m0/s1

InChI Key

JHRCJXWTUKWHCX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04060809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.33

Polar Surface Area

49.033

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

8015-3418 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8015-3418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3418?
Check Price and Availability of 8015-3418, 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 8015-3418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3418
  • 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 8015-3418 available by request