F449-4660 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

F449-4660 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide
F449-4660 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-4660
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

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

F449-4660

Molecular Formula

C22H28N8OS (C22 H28 N8 OS)

Compound Name

2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

IUPAC name

2-{[5-(tert-butylamino)-6-phenylimidazo[21-b][134]thiadiazol-2-yl](methyl)amino}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]acetamide

SMILES

CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N(C)CC(NCc3c[nH]nc3C)=O)nn12

InChI

InChI=1S/C22H28N8OS/c1-14-16(12-24-27-14)11-23-17(31)13-29(5)21-28-30-19(26-22(2,3)4)18(25-20(30)32-21)15-9-7-6-8-10-15/h6-10,12,26H,11,13H2,1-5H3,(H,23,31)(H,24,27)

InChI Key

NKYMESSNKYDTJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.52

Polar Surface Area

82.022

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F449-4660 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F449-4660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-4660?
Check Price and Availability of F449-4660, 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 F449-4660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-4660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-4660
  • 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 F449-4660 available by request