5926-0006 Screening compound: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

5926-0006 Screening compound: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
5926-0006 Screening compound: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5926-0006
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)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

5926-0006

Molecular Formula

C28H35BrN2O4S (C28 H35 BrN2 O4 S)

Compound Name

ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2)c(CSc3ccccc3)n(C)c1cc(Br)c2OCC(CN1CCCCCC1)O)=O

InChI

InChI=1S/C28H35BrN2O4S/c1-3-34-28(33)27-22-15-26(35-18-20(32)17-31-13-9-4-5-10-14-31)23(29)16-24(22)30(2)25(27)19-36-21-11-7-6-8-12-21/h6-8,11-12,15-16,20,32H,3-5,9-10,13-14,17-19H2,1-2H3/t20-/m0/s1

InChI Key

FIEDSXNMYITJIU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03624118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.082

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-5.32

Polar Surface Area

50.782

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

5926-0006 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5926-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5926-0006?
Check Price and Availability of 5926-0006, 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 5926-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5926-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5926-0006
  • 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 5926-0006 available by request