F666-1081 Screening compound: N-[(4-fluorophenyl)methyl]-1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxamide

F666-1081 Screening compound: N-[(4-fluorophenyl)methyl]-1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxamide
F666-1081 Screening compound: N-[(4-fluorophenyl)methyl]-1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F666-1081
N-[(4-fluorophenyl)methyl]-1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-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

F666-1081

Molecular Formula

C28H33FN4O3 (C28 H33 FN4 O3)

Compound Name

N-[(4-fluorophenyl)methyl]-1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-1-[6-methyl-3-(2-methylpropyl)-24-dioxo-1-phenyl-1234-tetrahydropyrimidin-5-yl]piperidine-4-carboxamide

SMILES

CC(C)CN(C(C(N(CC1)CCC1C(NCc(cc1)ccc1F)=O)=C(C)N1c2ccccc2)=O)C1=O

InChI

InChI=1S/C28H33FN4O3/c1-19(2)18-32-27(35)25(20(3)33(28(32)36)24-7-5-4-6-8-24)31-15-13-22(14-16-31)26(34)30-17-21-9-11-23(29)12-10-21/h4-12,19,22H,13-18H2,1-3H3,(H,30,34)

InChI Key

XHGOCCAKPPQNIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.66

Polar Surface Area

59.212

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F666-1081 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F666-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F666-1081?
Check Price and Availability of F666-1081, 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 F666-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F666-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F666-1081
  • 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 F666-1081 available by request