K844-0988 Screening compound: N-(3-FLUOROPHENYL)-4-HYDROXY-2-OXO-1-PROPYL-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE

K844-0988 Screening compound: N-(3-FLUOROPHENYL)-4-HYDROXY-2-OXO-1-PROPYL-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
K844-0988 Screening compound: N-(3-FLUOROPHENYL)-4-HYDROXY-2-OXO-1-PROPYL-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-0988
N-(3-FLUOROPHENYL)-4-HYDROXY-2-OXO-1-PROPYL-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE

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

K844-0988

Molecular Formula

C19H21FN2O3 (C19 H21 FN2 O3)

Compound Name

N-(3-FLUOROPHENYL)-4-HYDROXY-2-OXO-1-PROPYL-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE

IUPAC name

n/a

SMILES

CCCN(C(CCCC1)=C1C(O)=C1C(Nc2cccc(F)c2)=O)C1=O

InChI

InChI=1S/C19H21FN2O3/c1-2-10-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-13-7-5-6-12(20)11-13/h5-7,11,23H,2-4,8-10H2,1H3,(H,21,24)

InChI Key

FHVHFFSWLXJWHG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

-0.234

Water Solubility, LogSw

-3.17

Polar Surface Area

54.356

Acid Dissociation Constant (pKa)

4.17

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

K844-0988 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K844-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-0988?
Check Price and Availability of K844-0988, 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 K844-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-0988
  • 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 K844-0988 available by request