K844-1172 Screening compound: diethyl({3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]propyl})(prop-2-en-1-yl)azanium

K844-1172 Screening compound: diethyl({3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]propyl})(prop-2-en-1-yl)azanium
K844-1172 Screening compound: diethyl({3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]propyl})(prop-2-en-1-yl)azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-1172
diethyl({3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]propyl})(prop-2-en-1-yl)azanium

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

K844-1172

Molecular Formula

C20H32N3O3 (C20 H32 N3 O3)

Compound Name

diethyl({3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]propyl})(prop-2-en-1-yl)azanium

IUPAC name

diethyl({3-[(4-hydroxy-2-oxo-125678-hexahydroquinolin-3-yl)formamido]propyl})(prop-2-en-1-yl)azanium

SMILES

CC[N+](CC)(CCCNC(C(C(NC1=C2CCCC1)=O)=C2O)=O)CC=C

InChI

InChI=1S/C20H31N3O3/c1-4-13-23(5-2,6-3)14-9-12-21-19(25)17-18(24)15-10-7-8-11-16(15)22-20(17)26/h4H,1,5-14H2,2-3H3,(H2-,21,22,24,25,26)/p+1

InChI Key

GXTGVVQQYMHEFU-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03298962

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

362.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.480

Distribution Coefficient, logD

-0.788

Water Solubility, LogSw

-1.93

Polar Surface Area

64.899

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K844-1172 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K844-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-1172?
Check Price and Availability of K844-1172, 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 K844-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-1172
  • 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 K844-1172 available by request