D473-2069 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide

D473-2069 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
D473-2069 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-2069
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-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

D473-2069

Molecular Formula

C18H24N4O3S2 (C18 H24 N4 O3 S2)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(propan-2-yl)-N-(4567-tetrahydro-13-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide

SMILES

CC(C)c1cc(C(Nc2nc(CCCC3)c3s2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C18H24N4O3S2/c1-11(2)15-9-14(21-22(15)12-7-8-27(24,25)10-12)17(23)20-18-19-13-5-3-4-6-16(13)26-18/h9,11-12H,3-8,10H2,1-2H3,(H,19,20,23)/t12-/m1/s1

InChI Key

ZGQOONOSJULIOX-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD10043197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-3.24

Polar Surface Area

76.162

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

D473-2069 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D473-2069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-2069?
Check Price and Availability of D473-2069, 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 D473-2069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-2069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-2069
  • 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 D473-2069 available by request