D473-1986 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(3-methylphenyl)-1H-pyrazole-3-carboxamide

D473-1986 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(3-methylphenyl)-1H-pyrazole-3-carboxamide
D473-1986 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(3-methylphenyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1986
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(3-methylphenyl)-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

D473-1986

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-N~3~-(3-methylphenyl)-1H-pyrazole-3-carboxamide

IUPAC name

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

SMILES

CC(C)c1cc(C(Nc2cc(C)ccc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C18H23N3O3S/c1-12(2)17-10-16(18(22)19-14-6-4-5-13(3)9-14)20-21(17)15-7-8-25(23,24)11-15/h4-6,9-10,12,15H,7-8,11H2,1-3H3,(H,19,22)/t15-/m1/s1

InChI Key

ZOEWRXNQQQMMGB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD10043164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.89

Polar Surface Area

64.694

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D473-1986 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D473-1986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1986?
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What is the minimum amount of D473-1986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1986
  • 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 D473-1986 available by request