C883-0958 Screening compound: 1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

C883-0958 Screening compound: 1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide
C883-0958 Screening compound: 1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0958
1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-N-[(thiophen-2-yl)methyl]piperidine-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

C883-0958

Molecular Formula

C25H25N5O2S (C25 H25 N5 O2 S)

Compound Name

1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(c1c(-n2cccc2)n(-c2ccccc2)nc1)=O)NCc1cccs1

InChI

InChI=1S/C25H25N5O2S/c31-23(26-16-21-11-7-15-33-21)19-8-6-14-29(18-19)25(32)22-17-27-30(20-9-2-1-3-10-20)24(22)28-12-4-5-13-28/h1-5,7,9-13,15,17,19H,6,8,14,16,18H2,(H,26,31)/t19-/m0/s1

InChI Key

GCZPQQSUGULMQI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14805035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-3.74

Polar Surface Area

59.108

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C883-0958 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C883-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0958?
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What is the minimum amount of C883-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0958
  • 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 C883-0958 available by request