F449-1856 Screening compound: 2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

F449-1856 Screening compound: 2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
F449-1856 Screening compound: 2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-1856
2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

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

F449-1856

Molecular Formula

C27H34N8OS (C27 H34 N8 OS)

Compound Name

2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[21-b][134]thiadiazol-2-yl](methyl)amino}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

CC(C)(C)Nc1c(-c2cc(C)ccc2)nc2sc(N(C)CC(N(CC3)CCN3c3ncccc3)=O)nn12

InChI

InChI=1S/C27H34N8OS/c1-19-9-8-10-20(17-19)23-24(30-27(2,3)4)35-25(29-23)37-26(31-35)32(5)18-22(36)34-15-13-33(14-16-34)21-11-6-7-12-28-21/h6-12,17,30H,13-16,18H2,1-5H3

InChI Key

AXXQSMHOJWLZRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.48

Polar Surface Area

61.446

Acid Dissociation Constant (pKa)

17.50

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

F449-1856 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F449-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-1856?
Check Price and Availability of F449-1856, 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 F449-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-1856
  • 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 F449-1856 available by request