D511-0992 Screening compound: 4-{5-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-3-carbonyl}thiomorpholine

D511-0992 Screening compound: 4-{5-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-3-carbonyl}thiomorpholine
D511-0992 Screening compound: 4-{5-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-3-carbonyl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D511-0992
4-{5-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-3-carbonyl}thiomorpholine

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

D511-0992

Molecular Formula

C20H26N4O4S2 (C20 H26 N4 O4 S2)

Compound Name

4-{5-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-3-carbonyl}thiomorpholine

IUPAC name

4-{5-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-3-carbonyl}thiomorpholine

SMILES

COc(ccc(-c1cc(C(N2CCSCC2)=O)n[nH]1)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C20H26N4O4S2/c1-28-18-6-5-15(13-19(18)30(26,27)24-7-3-2-4-8-24)16-14-17(22-21-16)20(25)23-9-11-29-12-10-23/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,22)

InChI Key

GKPXUIKPANGZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.368

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-2.90

Polar Surface Area

78.718

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D511-0992 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D511-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D511-0992?
Check Price and Availability of D511-0992, 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 D511-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D511-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D511-0992
  • 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 D511-0992 available by request