D627-0109 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-piperidinophenyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide

D627-0109 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-piperidinophenyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide
D627-0109 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-piperidinophenyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0109
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-piperidinophenyl)-5-(2-thienyl)-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

D627-0109

Molecular Formula

C23H26N4O3S2 (C23 H26 N4 O3 S2)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-piperidinophenyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-N-[4-(piperidin-1-yl)phenyl]-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide

SMILES

O=C(c1nn(C(CC2)CS2(=O)=O)c(-c2cccs2)c1)Nc(cc1)ccc1N1CCCCC1

InChI

InChI=1S/C23H26N4O3S2/c28-23(24-17-6-8-18(9-7-17)26-11-2-1-3-12-26)20-15-21(22-5-4-13-31-22)27(25-20)19-10-14-32(29,30)16-19/h4-9,13,15,19H,1-3,10-12,14,16H2,(H,24,28)/t19-/m1/s1

InChI Key

HMCHOZFICMIMDC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15142226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.68

Polar Surface Area

68.894

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D627-0109 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D627-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0109?
Check Price and Availability of D627-0109, 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 D627-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0109
  • 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 D627-0109 available by request