K788-0895 Screening compound: 6-bromo-N-cyclopentyl-2-oxo-1,2-dihydro-4-quinolinecarboxamide

K788-0895 Screening compound: 6-bromo-N-cyclopentyl-2-oxo-1,2-dihydro-4-quinolinecarboxamide
K788-0895 Screening compound: 6-bromo-N-cyclopentyl-2-oxo-1,2-dihydro-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0895
6-bromo-N-cyclopentyl-2-oxo-1,2-dihydro-4-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

K788-0895

Molecular Formula

C15H15BrN2O2 (C15 H15 BrN2 O2)

Compound Name

6-bromo-N-cyclopentyl-2-oxo-1,2-dihydro-4-quinolinecarboxamide

IUPAC name

6-bromo-N-cyclopentyl-2-oxo-12-dihydroquinoline-4-carboxamide

SMILES

O=C(C(c(cc(cc1)Br)c1N1)=CC1=O)NC1CCCC1

InChI

InChI=1S/C15H15BrN2O2/c16-9-5-6-13-11(7-9)12(8-14(19)18-13)15(20)17-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,17,20)(H,18,19)

InChI Key

COOFZYRYJZAPPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.67

Polar Surface Area

49.564

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

K788-0895 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K788-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0895?
Check Price and Availability of K788-0895, 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 K788-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0895
  • 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 K788-0895 available by request