F449-4657 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[2-methyl-1-(thiophen-2-yl)propyl]acetamide

F449-4657 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[2-methyl-1-(thiophen-2-yl)propyl]acetamide
F449-4657 Screening compound: 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[2-methyl-1-(thiophen-2-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-4657
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-N-[2-methyl-1-(thiophen-2-yl)propyl]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

F449-4657

Molecular Formula

C25H32N6OS2 (C25 H32 N6 OS2)

Compound Name

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

IUPAC name

2-{[5-(tert-butylamino)-6-phenylimidazo[21-b][134]thiadiazol-2-yl](methyl)amino}-N-[2-methyl-1-(thiophen-2-yl)propyl]acetamide

SMILES

CC(C)C(c1cccs1)NC(CN(C)c(s1)nn2c1nc(-c1ccccc1)c2NC(C)(C)C)=O

InChI

InChI=1S/C25H32N6OS2/c1-16(2)20(18-13-10-14-33-18)26-19(32)15-30(6)24-29-31-22(28-25(3,4)5)21(27-23(31)34-24)17-11-8-7-9-12-17/h7-14,16,20,28H,15H2,1-6H3,(H,26,32)/t20-/m0/s1

InChI Key

JZYQDTJMFYDWRW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27130048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.7

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

5.239

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-4.99

Polar Surface Area

58.124

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

F449-4657 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F449-4657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-4657?
Check Price and Availability of F449-4657, 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 F449-4657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-4657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-4657
  • 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 F449-4657 available by request