D455-0935 Screening compound: ethyl 4-({[6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazol-5-yl]carbonyl}amino)benzoate

D455-0935 Screening compound: ethyl 4-({[6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazol-5-yl]carbonyl}amino)benzoate
D455-0935 Screening compound: ethyl 4-({[6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazol-5-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D455-0935
ethyl 4-({[6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazol-5-yl]carbonyl}amino)benzoate

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

D455-0935

Molecular Formula

C22H21N3O6S (C22 H21 N3 O6 S)

Compound Name

ethyl 4-({[6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazol-5-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 4-[6-(4-methoxyphenyl)-11-dioxo-2H3H-1lambda6-imidazo[21-b][13]thiazole-5-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(n1CC2)c(-c(cc3)ccc3OC)nc1S2(=O)=O)=O)=O

InChI

InChI=1S/C22H21N3O6S/c1-3-31-21(27)15-4-8-16(9-5-15)23-20(26)19-18(14-6-10-17(30-2)11-7-14)24-22-25(19)12-13-32(22,28)29/h4-11H,3,12-13H2,1-2H3,(H,23,26)

InChI Key

LBJXQQCELVUYCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-3.49

Polar Surface Area

92.904

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D455-0935 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 D455-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0935?
Check Price and Availability of D455-0935, 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 D455-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0935
  • 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 D455-0935 available by request