F449-3952 Screening compound: 2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-(3-methylbutyl)acetamide

F449-3952 Screening compound: 2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-(3-methylbutyl)acetamide
F449-3952 Screening compound: 2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-3952
2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-(3-methylbutyl)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

F449-3952

Molecular Formula

C22H31FN6OS (C22 H31 FN6 OS)

Compound Name

2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-(3-methylbutyl)acetamide

IUPAC name

2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[21-b][134]thiadiazol-2-yl](methyl)amino}-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN(C)c(s1)nn2c1nc(-c1cc(F)ccc1)c2NC(C)(C)C)=O

InChI

InChI=1S/C22H31FN6OS/c1-14(2)10-11-24-17(30)13-28(6)21-27-29-19(26-22(3,4)5)18(25-20(29)31-21)15-8-7-9-16(23)12-15/h7-9,12,14,26H,10-11,13H2,1-6H3,(H,24,30)

InChI Key

CZMOJKAULPIXIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-4.38

Polar Surface Area

57.867

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F449-3952 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 F449-3952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-3952?
Check Price and Availability of F449-3952, 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 F449-3952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-3952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-3952
  • 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 F449-3952 available by request