D455-0637 Screening compound: ethyl 4-({[6-(4-chlorophenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazol-5-yl]carbonyl}amino)benzoate

D455-0637 Screening compound: ethyl 4-({[6-(4-chlorophenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazol-5-yl]carbonyl}amino)benzoate
D455-0637 Screening compound: ethyl 4-({[6-(4-chlorophenyl)-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 D455-0637
ethyl 4-({[6-(4-chlorophenyl)-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

D455-0637

Molecular Formula

C21H18ClN3O5S (C21 H18 ClN3 O5 S)

Compound Name

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

SMILES

CCOC(c(cc1)ccc1NC(c(n1CC2)c(-c(cc3)ccc3Cl)nc1S2(=O)=O)=O)=O

InChI

InChI=1S/C21H18ClN3O5S/c1-2-30-20(27)14-5-9-16(10-6-14)23-19(26)18-17(13-3-7-15(22)8-4-13)24-21-25(18)11-12-31(21,28)29/h3-10H,2,11-12H2,1H3,(H,23,26)

InChI Key

XEBIOAAUBXHFLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.48

Polar Surface Area

85.361

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D455-0637 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D455-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0637?
Check Price and Availability of D455-0637, 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 D455-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0637
  • 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 D455-0637 available by request