D455-1212 Screening compound: N~5~-[2-(1-cyclohexenyl)ethyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-1212 Screening compound: N~5~-[2-(1-cyclohexenyl)ethyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-1212 Screening compound: N~5~-[2-(1-cyclohexenyl)ethyl]-6-(3-methoxyphenyl)-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 D455-1212
N~5~-[2-(1-cyclohexenyl)ethyl]-6-(3-methoxyphenyl)-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

D455-1212

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

N~5~-[2-(1-cyclohexenyl)ethyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(3-methoxyphenyl)-11-dioxo-2H3H-1lambda6-imidazo[21-b][13]thiazole-5-carboxamide

SMILES

COc1cccc(-c2c(C(NCCC3=CCCCC3)=O)n(CCS3(=O)=O)c3n2)c1

InChI

InChI=1S/C21H25N3O4S/c1-28-17-9-5-8-16(14-17)18-19(24-12-13-29(26,27)21(24)23-18)20(25)22-11-10-15-6-3-2-4-7-15/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,22,25)

InChI Key

WONBXPKSZCGOFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.44

Polar Surface Area

73.507

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D455-1212 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 D455-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-1212?
Check Price and Availability of D455-1212, 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 D455-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-1212
  • 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 D455-1212 available by request