D455-1101 Screening compound: 6-(4-methoxyphenyl)-N~5~-(4-methylbenzyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-1101 Screening compound: 6-(4-methoxyphenyl)-N~5~-(4-methylbenzyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-1101 Screening compound: 6-(4-methoxyphenyl)-N~5~-(4-methylbenzyl)-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 D455-1101
6-(4-methoxyphenyl)-N~5~-(4-methylbenzyl)-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

D455-1101

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c(n2CC3)c(-c(cc4)ccc4OC)nc2S3(=O)=O)=O)cc1

InChI

InChI=1S/C21H21N3O4S/c1-14-3-5-15(6-4-14)13-22-20(25)19-18(16-7-9-17(28-2)10-8-16)23-21-24(19)11-12-29(21,26)27/h3-10H,11-13H2,1-2H3,(H,22,25)

InChI Key

ZMXWBHFVDJCDBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.17

Polar Surface Area

73.473

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D455-1101 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D455-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-1101?
Check Price and Availability of D455-1101, 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 D455-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-1101
  • 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 D455-1101 available by request