8009-0670 Screening compound: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(pyrrolidin-1-yl)methyl]-1H-indole-3-carboxylate

8009-0670 Screening compound: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(pyrrolidin-1-yl)methyl]-1H-indole-3-carboxylate
8009-0670 Screening compound: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(pyrrolidin-1-yl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0670
ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(pyrrolidin-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

8009-0670

Molecular Formula

C23H25BrN2O3 (C23 H25 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(c1c2)c(CN3CCCC3)n(Cc3ccccc3)c1cc(Br)c2O)=O

InChI

InChI=1S/C23H25BrN2O3/c1-2-29-23(28)22-17-12-21(27)18(24)13-19(17)26(14-16-8-4-3-5-9-16)20(22)15-25-10-6-7-11-25/h3-5,8-9,12-13,27H,2,6-7,10-11,14-15H2,1H3

InChI Key

DMVXZZUVQMMORA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460997

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

457.37

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

4.734

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-4.38

Polar Surface Area

42.350

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

8009-0670 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)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0670?
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What is the minimum amount of 8009-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0670
  • 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 8009-0670 available by request