D455-1004 Screening compound: N~5~-(6-ethoxy-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-1004 Screening compound: N~5~-(6-ethoxy-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-1004 Screening compound: N~5~-(6-ethoxy-1,3-benzothiazol-2-yl)-6-(4-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 D455-1004
N~5~-(6-ethoxy-1,3-benzothiazol-2-yl)-6-(4-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

D455-1004

Molecular Formula

C22H20N4O5S2 (C22 H20 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc2c1nc(NC(c(n1CC3)c(-c(cc4)ccc4OC)nc1S3(=O)=O)=O)s2

InChI

InChI=1S/C22H20N4O5S2/c1-3-31-15-8-9-16-17(12-15)32-21(23-16)25-20(27)19-18(13-4-6-14(30-2)7-5-13)24-22-26(19)10-11-33(22,28)29/h4-9,12H,3,10-11H2,1-2H3,(H,23,25,27)

InChI Key

JKKLOWQRIOEVHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.07

Polar Surface Area

89.036

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D455-1004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D455-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-1004?
Check Price and Availability of D455-1004, 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 D455-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-1004
  • 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 D455-1004 available by request