8009-6084 Screening compound: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(piperidin-1-yl)methyl]-1H-indole-3-carboxylate

8009-6084 Screening compound: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(piperidin-1-yl)methyl]-1H-indole-3-carboxylate
8009-6084 Screening compound: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(piperidin-1-yl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6084
ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(piperidin-1-yl)methyl]-1H-indole-3-carboxylate

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

8009-6084

Molecular Formula

C25H29BrN2O3 (C25 H29 BrN2 O3)

Compound Name

ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(piperidin-1-yl)methyl]-1H-indole-3-carboxylate

IUPAC name

ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(piperidin-1-yl)methyl]-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2CN3CCCCC3)c(C)n(Cc3ccccc3)c1cc(Br)c2O)=O

InChI

InChI=1S/C25H29BrN2O3/c1-3-31-25(30)22-17(2)28(15-18-10-6-4-7-11-18)21-14-20(26)24(29)19(23(21)22)16-27-12-8-5-9-13-27/h4,6-7,10-11,14,29H,3,5,8-9,12-13,15-16H2,1-2H3

InChI Key

VEAVXUPULGBFCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01622906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.542

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-5.52

Polar Surface Area

41.404

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8009-6084 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8009-6084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6084?
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What is the minimum amount of 8009-6084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6084
  • 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 8009-6084 available by request