D455-0359 Screening compound: 6-(4-fluorophenyl)-1,1-dioxo-N~5~-(4-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-0359 Screening compound: 6-(4-fluorophenyl)-1,1-dioxo-N~5~-(4-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-0359 Screening compound: 6-(4-fluorophenyl)-1,1-dioxo-N~5~-(4-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D455-0359
6-(4-fluorophenyl)-1,1-dioxo-N~5~-(4-phenyl-1,3-thiazol-2-yl)-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

D455-0359

Molecular Formula

C21H15FN4O3S2 (C21 H15 FN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(n1CC2)c(-c(cc3)ccc3F)nc1S2(=O)=O)Nc1nc(-c2ccccc2)cs1

InChI

InChI=1S/C21H15FN4O3S2/c22-15-8-6-14(7-9-15)17-18(26-10-11-31(28,29)21(26)24-17)19(27)25-20-23-16(12-30-20)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,23,25,27)

InChI Key

LDRUUSJCJPTKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.28

Polar Surface Area

74.382

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D455-0359 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D455-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0359?
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What is the minimum amount of D455-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0359
  • 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 D455-0359 available by request