D455-0440 Screening compound: N~5~-(2,5-dimethoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-0440 Screening compound: N~5~-(2,5-dimethoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-0440 Screening compound: N~5~-(2,5-dimethoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D455-0440
N~5~-(2,5-dimethoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

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

D455-0440

Molecular Formula

C20H18FN3O5S (C20 H18 FN3 O5 S)

Compound Name

N~5~-(2,5-dimethoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-6-(4-fluorophenyl)-11-dioxo-2H3H-1lambda6-imidazo[21-b][13]thiazole-5-carboxamide

SMILES

COc(cc1)cc(NC(c(n2CC3)c(-c(cc4)ccc4F)nc2S3(=O)=O)=O)c1OC

InChI

InChI=1S/C20H18FN3O5S/c1-28-14-7-8-16(29-2)15(11-14)22-19(25)18-17(12-3-5-13(21)6-4-12)23-20-24(18)9-10-30(20,26)27/h3-8,11H,9-10H2,1-2H3,(H,22,25)

InChI Key

UTOIXGJQFCLDFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-3.23

Polar Surface Area

79.083

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D455-0440 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D455-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0440?
Check Price and Availability of D455-0440, 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 D455-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0440
  • 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 D455-0440 available by request