D473-2019 Screening compound: N~3~-[4-(tert-butyl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

D473-2019 Screening compound: N~3~-[4-(tert-butyl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide
D473-2019 Screening compound: N~3~-[4-(tert-butyl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-2019
N~3~-[4-(tert-butyl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-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

D473-2019

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

N~3~-[4-(tert-butyl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

IUPAC name

N-(4-tert-butylphenyl)-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide

SMILES

CC(C)c1cc(C(Nc2ccc(C(C)(C)C)cc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C21H29N3O3S/c1-14(2)19-12-18(23-24(19)17-10-11-28(26,27)13-17)20(25)22-16-8-6-15(7-9-16)21(3,4)5/h6-9,12,14,17H,10-11,13H2,1-5H3,(H,22,25)/t17-/m1/s1

InChI Key

NSOQEYMOUCDNSH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD10043181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-3.93

Polar Surface Area

64.694

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

D473-2019 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D473-2019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-2019?
Check Price and Availability of D473-2019, 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 D473-2019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-2019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-2019
  • 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 D473-2019 available by request