D473-2066 Screening compound: N~3~-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

D473-2066 Screening compound: N~3~-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide
D473-2066 Screening compound: N~3~-[3-(1,3-benzoxazol-2-yl)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 D473-2066
N~3~-[3-(1,3-benzoxazol-2-yl)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

D473-2066

Molecular Formula

C24H24N4O4S (C24 H24 N4 O4 S)

Compound Name

N~3~-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-isopropyl-1H-pyrazole-3-carboxamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)phenyl]-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide

SMILES

CC(C)c1cc(C(Nc2cc(-c3nc(cccc4)c4o3)ccc2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C24H24N4O4S/c1-15(2)21-13-20(27-28(21)18-10-11-33(30,31)14-18)23(29)25-17-7-5-6-16(12-17)24-26-19-8-3-4-9-22(19)32-24/h3-9,12-13,15,18H,10-11,14H2,1-2H3,(H,25,29)/t18-/m1/s1

InChI Key

IPRBYYJRZHMZQQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD10043195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-3.96

Polar Surface Area

81.505

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D473-2066 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D473-2066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-2066?
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What is the minimum amount of D473-2066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-2066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-2066
  • 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 D473-2066 available by request