D627-0122 Screening compound: N~3~-cyclopropyl-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

D627-0122 Screening compound: N~3~-cyclopropyl-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
D627-0122 Screening compound: N~3~-cyclopropyl-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 D627-0122
N~3~-cyclopropyl-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

D627-0122

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1cc(C(NC2CC2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C18H21N3O3S/c1-12-2-4-13(5-3-12)17-10-16(18(22)19-14-6-7-14)20-21(17)15-8-9-25(23,24)11-15/h2-5,10,14-15H,6-9,11H2,1H3,(H,19,22)/t15-/m1/s1

InChI Key

CULKNMSUZFMGAF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14860225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

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

1.832

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-2.47

Polar Surface Area

65.801

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D627-0122 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D627-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0122?
Check Price and Availability of D627-0122, 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 D627-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0122
  • 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 D627-0122 available by request