F880-0618 Screening compound: 3-methyl-N-{2-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}butanamide

F880-0618 Screening compound: 3-methyl-N-{2-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}butanamide
F880-0618 Screening compound: 3-methyl-N-{2-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F880-0618
3-methyl-N-{2-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}butanamide

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

F880-0618

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

3-methyl-N-{2-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}butanamide

IUPAC name

3-methyl-N-{2-[({9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}butanamide

SMILES

CC(C)CC(Nc(cccc1)c1SCC(N=C1N2C=CC=C1C)=CC2=O)=O

InChI

InChI=1S/C21H23N3O2S/c1-14(2)11-19(25)23-17-8-4-5-9-18(17)27-13-16-12-20(26)24-10-6-7-15(3)21(24)22-16/h4-10,12,14H,11,13H2,1-3H3,(H,23,25)

InChI Key

IEJGQQWWEADSIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.32

Polar Surface Area

47.426

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F880-0618 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 F880-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F880-0618?
Check Price and Availability of F880-0618, 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 F880-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F880-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F880-0618
  • 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 F880-0618 available by request