K784-8996 Screening compound: 1-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

K784-8996 Screening compound: 1-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
K784-8996 Screening compound: 1-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8996
1-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

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

K784-8996

Molecular Formula

C25H25ClN2O2 (C25 H25 ClN2 O2)

Compound Name

1-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

IUPAC name

1-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-12-dihydroquinoline-4-carboxamide

SMILES

O=C(C(c(cccc1)c1N1Cc(cc2)ccc2Cl)=CC1=O)NCCC1=CCCCC1

InChI

InChI=1S/C25H25ClN2O2/c26-20-12-10-19(11-13-20)17-28-23-9-5-4-8-21(23)22(16-24(28)29)25(30)27-15-14-18-6-2-1-3-7-18/h4-6,8-13,16H,1-3,7,14-15,17H2,(H,27,30)

InChI Key

MRNARROTSJLXPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.88

Polar Surface Area

40.066

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K784-8996 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-8996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8996?
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What is the minimum amount of K784-8996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8996
  • 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 K784-8996 available by request