D627-0189 Screening compound: N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

D627-0189 Screening compound: N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
D627-0189 Screening compound: N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0189
N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-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

D627-0189

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

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

IUPAC name

N-tert-butyl-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

SMILES

CC(C)(C)NC(c1nn(C(CC2)CS2(=O)=O)c(-c2ccc(C)cc2)c1)=O

InChI

InChI=1S/C19H25N3O3S/c1-13-5-7-14(8-6-13)17-11-16(18(23)20-19(2,3)4)21-22(17)15-9-10-26(24,25)12-15/h5-8,11,15H,9-10,12H2,1-4H3,(H,20,23)/t15-/m1/s1

InChI Key

WZKAYJBJAVVCBG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14860229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

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

2.626

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-3.15

Polar Surface Area

64.840

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

D627-0189 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D627-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0189?
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What is the minimum amount of D627-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0189
  • 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 D627-0189 available by request