D455-0963 Screening compound: 6-(4-methoxyphenyl)-1,1-dioxo-N~5~-(1,3-thiazol-2-yl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-0963 Screening compound: 6-(4-methoxyphenyl)-1,1-dioxo-N~5~-(1,3-thiazol-2-yl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-0963 Screening compound: 6-(4-methoxyphenyl)-1,1-dioxo-N~5~-(1,3-thiazol-2-yl)-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D455-0963
6-(4-methoxyphenyl)-1,1-dioxo-N~5~-(1,3-thiazol-2-yl)-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

D455-0963

Molecular Formula

C16H14N4O4S2 (C16 H14 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1c(C(Nc2nccs2)=O)n(CCS2(=O)=O)c2n1

InChI

InChI=1S/C16H14N4O4S2/c1-24-11-4-2-10(3-5-11)12-13(14(21)19-15-17-6-8-25-15)20-7-9-26(22,23)16(20)18-12/h2-6,8H,7,9H2,1H3,(H,17,19,21)

InChI Key

DVOWFHOFYSJMCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.913

Water Solubility, LogSw

-2.69

Polar Surface Area

82.629

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D455-0963 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D455-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0963?
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What is the minimum amount of D455-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0963
  • 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 D455-0963 available by request