F449-4700 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(4-propoxyphenyl)methyl]acetamide

F449-4700 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(4-propoxyphenyl)methyl]acetamide
F449-4700 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(4-propoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-4700
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[(4-propoxyphenyl)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

F449-4700

Molecular Formula

C27H34N6O2S (C27 H34 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CNC(CN(C)c(s2)nn3c2nc(-c2ccccc2)c3NC(C)(C)C)=O)cc1

InChI

InChI=1S/C27H34N6O2S/c1-6-16-35-21-14-12-19(13-15-21)17-28-22(34)18-32(5)26-31-33-24(30-27(2,3)4)23(29-25(33)36-26)20-10-8-7-9-11-20/h7-15,30H,6,16-18H2,1-5H3,(H,28,34)

InChI Key

RYILZOBCKWYMJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.41

Polar Surface Area

65.171

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

F449-4700 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F449-4700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-4700?
Check Price and Availability of F449-4700, 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 F449-4700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-4700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-4700
  • 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 F449-4700 available by request