D455-0914 Screening compound: N~5~-[2-(1-cyclohexenyl)ethyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide

D455-0914 Screening compound: N~5~-[2-(1-cyclohexenyl)ethyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-imidazo[2,1-b][1,3]thiazole-5-carboxamide
D455-0914 Screening compound: N~5~-[2-(1-cyclohexenyl)ethyl]-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 D455-0914
N~5~-[2-(1-cyclohexenyl)ethyl]-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

D455-0914

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1c(C(NCCC2=CCCCC2)=O)n(CCS2(=O)=O)c2n1

InChI

InChI=1S/C21H25N3O4S/c1-28-17-9-7-16(8-10-17)18-19(24-13-14-29(26,27)21(24)23-18)20(25)22-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-14H2,1H3,(H,22,25)

InChI Key

URDBTEBHWADBNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-2.92

Polar Surface Area

73.507

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D455-0914 in Drug Discovery

Included in Screening Libraries

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

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 D455-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D455-0914?
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What is the minimum amount of D455-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D455-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D455-0914
  • 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 D455-0914 available by request