F449-4629 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one

F449-4629 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
F449-4629 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-4629
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-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

F449-4629

Molecular Formula

C25H31N9OS (C25 H31 N9 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N(C)CC(N(CC3)CCN3c3ncccn3)=O)nn12

InChI

InChI=1S/C25H31N9OS/c1-25(2,3)29-21-20(18-9-6-5-7-10-18)28-23-34(21)30-24(36-23)31(4)17-19(35)32-13-15-33(16-14-32)22-26-11-8-12-27-22/h5-12,29H,13-17H2,1-4H3

InChI Key

VLKBDCNNWANTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.662

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-3.71

Polar Surface Area

71.297

Acid Dissociation Constant (pKa)

17.50

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F449-4629 in Drug Discovery

Included in Screening Libraries

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

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 F449-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-4629?
Check Price and Availability of F449-4629, 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 F449-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-4629
  • 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 F449-4629 available by request