D455-0313 Screening compound: 6-(4-fluorophenyl)-1,1-dioxo-N~5~-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-0313 Screening compound: 6-(4-fluorophenyl)-1,1-dioxo-N~5~-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-0313 Screening compound: 6-(4-fluorophenyl)-1,1-dioxo-N~5~-(tetrahydro-2-furanylmethyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D455-0313
6-(4-fluorophenyl)-1,1-dioxo-N~5~-(tetrahydro-2-furanylmethyl)-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

D455-0313

Molecular Formula

C17H18FN3O4S (C17 H18 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(n1CC2)c(-c(cc3)ccc3F)nc1S2(=O)=O)NCC1OCCC1

InChI

InChI=1S/C17H18FN3O4S/c18-12-5-3-11(4-6-12)14-15(16(22)19-10-13-2-1-8-25-13)21-7-9-26(23,24)17(21)20-14/h3-6,13H,1-2,7-10H2,(H,19,22)/t13-/m1/s1

InChI Key

IMRZJQMHLRQRES-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27587257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

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

0.858

Distribution Coefficient, logD

0.858

Water Solubility, LogSw

-2.18

Polar Surface Area

74.583

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

D455-0313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • 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 D455-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0313?
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What is the minimum amount of D455-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0313
  • 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 D455-0313 available by request