L486-0685 Screening compound: N-(3-fluoro-4-methylphenyl)-4-(6-fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

L486-0685 Screening compound: N-(3-fluoro-4-methylphenyl)-4-(6-fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
L486-0685 Screening compound: N-(3-fluoro-4-methylphenyl)-4-(6-fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L486-0685
N-(3-fluoro-4-methylphenyl)-4-(6-fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-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

L486-0685

Molecular Formula

C21H20F2N4O2 (C21 H20 F2 N4 O2)

Compound Name

N-(3-fluoro-4-methylphenyl)-4-(6-fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-4-(6-fluoro-4-oxo-34-dihydroquinazolin-3-yl)piperidine-1-carboxamide

SMILES

Cc(ccc(NC(N(CC1)CCC1N(C=Nc(cc1)c2cc1F)C2=O)=O)c1)c1F

InChI

InChI=1S/C21H20F2N4O2/c1-13-2-4-15(11-18(13)23)25-21(29)26-8-6-16(7-9-26)27-12-24-19-5-3-14(22)10-17(19)20(27)28/h2-5,10-12,16H,6-9H2,1H3,(H,25,29)

InChI Key

VXAHOQSTHNGPSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27457162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.58

Polar Surface Area

51.003

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L486-0685 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 L486-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L486-0685?
Check Price and Availability of L486-0685, 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 L486-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L486-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L486-0685
  • 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 L486-0685 available by request