8012-6682 Screening compound: ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate

8012-6682 Screening compound: ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate
8012-6682 Screening compound: ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6682
ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenyl-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

8012-6682

Molecular Formula

C24H27BrN2O3 (C24 H27 BrN2 O3)

Compound Name

ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate

IUPAC name

ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c(c1c2)cc(O)c2Br)c(CN2C(C)CCCC2)n1-c1ccccc1)=O

InChI

InChI=1S/C24H27BrN2O3/c1-3-30-24(29)23-18-13-22(28)19(25)14-20(18)27(17-10-5-4-6-11-17)21(23)15-26-12-8-7-9-16(26)2/h4-6,10-11,13-14,16,28H,3,7-9,12,15H2,1-2H3/t16-/m0/s1

InChI Key

OWHQBCQPONVLOQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03034501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-4.45

Polar Surface Area

42.178

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8012-6682 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-6682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6682?
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What is the minimum amount of 8012-6682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6682
  • 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 8012-6682 available by request