3014-4906 Screening compound: 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

3014-4906 Screening compound: 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
3014-4906 Screening compound: 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4906
4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

3014-4906

Molecular Formula

C17H15FN2O (C17 H15 FN2 O)

Compound Name

4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

4-(3-fluorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(NC(CCC1)=C(C2c3cccc(F)c3)C1=O)=C2C#N

InChI

InChI=1S/C17H15FN2O/c1-10-13(9-19)16(11-4-2-5-12(18)8-11)17-14(20-10)6-3-7-15(17)21/h2,4-5,8,16,20H,3,6-7H2,1H3/t16-/m1/s1

InChI Key

TUGIBEWIRREVOV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01825060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.712

Distribution Coefficient, logD

0.202

Water Solubility, LogSw

-3.12

Polar Surface Area

40.977

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

3014-4906 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 3014-4906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4906?
Check Price and Availability of 3014-4906, 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 3014-4906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4906
  • 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 3014-4906 available by request