4971-0036 Screening compound: 4-[(1E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium

4971-0036 Screening compound: 4-[(1E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium
4971-0036 Screening compound: 4-[(1E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4971-0036
4-[(1E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium

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

4971-0036

Molecular Formula

C35H46BrN2 (C35 H46 BrN2)

Compound Name

4-[(1E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium

IUPAC name

4-[(1E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium

SMILES

CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2c[nH]c(cc3)c2cc3Br)c2ccccc12

InChI

InChI=1S/C35H45BrN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-38-26-24-29(32-18-15-16-19-35(32)38)20-21-30-28-37-34-23-22-31(36)27-33(30)34/h15-16,18-24,26-28H,2-14,17,25H2,1H3/p+1

InChI Key

DYCVLKMXABVYHZ-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03827137

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

574.67

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

12.966

Distribution Coefficient, logD

12.966

Water Solubility, LogSw

-6.22

Polar Surface Area

10.908

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.70

4971-0036 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4971-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4971-0036?
Check Price and Availability of 4971-0036, 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 4971-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4971-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4971-0036
  • 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 4971-0036 available by request