F449-2969 Screening compound: 2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one

F449-2969 Screening compound: 2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one
F449-2969 Screening compound: 2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-2969
2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-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

F449-2969

Molecular Formula

C21H27FN6OS (C21 H27 FN6 OS)

Compound Name

2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[21-b][134]thiadiazol-2-yl](methyl)amino}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

CC(C)(C)Nc1c(-c(cc2)ccc2F)nc2sc(N(C)CC(N3CCCC3)=O)nn12

InChI

InChI=1S/C21H27FN6OS/c1-21(2,3)24-18-17(14-7-9-15(22)10-8-14)23-19-28(18)25-20(30-19)26(4)13-16(29)27-11-5-6-12-27/h7-10,24H,5-6,11-13H2,1-4H3

InChI Key

AEDXZILJYPQYHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.777

Distribution Coefficient, logD

3.777

Water Solubility, LogSw

-3.83

Polar Surface Area

50.041

Acid Dissociation Constant (pKa)

17.50

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with F449-2969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-2969?
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What is the minimum amount of F449-2969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-2969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-2969
  • 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 F449-2969 available by request