F449-2961 Screening compound: 1-(azepan-1-yl)-2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}ethan-1-one

F449-2961 Screening compound: 1-(azepan-1-yl)-2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}ethan-1-one
F449-2961 Screening compound: 1-(azepan-1-yl)-2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F449-2961
1-(azepan-1-yl)-2-{[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}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

F449-2961

Molecular Formula

C23H31FN6OS (C23 H31 FN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)Nc1c(-c(cc2)ccc2F)nc2sc(N(C)CC(N3CCCCCC3)=O)nn12

InChI

InChI=1S/C23H31FN6OS/c1-23(2,3)26-20-19(16-9-11-17(24)12-10-16)25-21-30(20)27-22(32-21)28(4)15-18(31)29-13-7-5-6-8-14-29/h9-12,26H,5-8,13-15H2,1-4H3

InChI Key

XICGLDAMVUIZFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

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

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.08

Polar Surface Area

50.006

Acid Dissociation Constant (pKa)

17.50

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with F449-2961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F449-2961?
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What is the minimum amount of F449-2961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F449-2961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F449-2961
  • 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 F449-2961 available by request