D455-0311 Screening compound: 5-(1-azepanylcarbonyl)-6-(4-fluorophenyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-1,1-dione

D455-0311 Screening compound: 5-(1-azepanylcarbonyl)-6-(4-fluorophenyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-1,1-dione
D455-0311 Screening compound: 5-(1-azepanylcarbonyl)-6-(4-fluorophenyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D455-0311
5-(1-azepanylcarbonyl)-6-(4-fluorophenyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-1,1-dione

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

D455-0311

Molecular Formula

C18H20FN3O3S (C18 H20 FN3 O3 S)

Compound Name

5-(1-azepanylcarbonyl)-6-(4-fluorophenyl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-1,1-dione

IUPAC name

5-(azepane-1-carbonyl)-6-(4-fluorophenyl)-2H3H-1lambda6-imidazo[21-b][13]thiazole-11-dione

SMILES

O=C(c(n1CC2)c(-c(cc3)ccc3F)nc1S2(=O)=O)N1CCCCCC1

InChI

InChI=1S/C18H20FN3O3S/c19-14-7-5-13(6-8-14)15-16(17(23)21-9-3-1-2-4-10-21)22-11-12-26(24,25)18(22)20-15/h5-8H,1-4,9-12H2

InChI Key

XHJAKWRBIVQKDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.63

Polar Surface Area

58.495

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D455-0311 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D455-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0311?
Check Price and Availability of D455-0311, 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 D455-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0311
  • 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 D455-0311 available by request