C094-1821 Screening compound: N-cyclopentyl-1-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)acetamido]cyclohexane-1-carboxamide

C094-1821 Screening compound: N-cyclopentyl-1-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)acetamido]cyclohexane-1-carboxamide
C094-1821 Screening compound: N-cyclopentyl-1-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)acetamido]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1821
N-cyclopentyl-1-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)acetamido]cyclohexane-1-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

C094-1821

Molecular Formula

C33H39N5O3 (C33 H39 N5 O3)

Compound Name

N-cyclopentyl-1-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)acetamido]cyclohexane-1-carboxamide

IUPAC name

N-cyclopentyl-1-[N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)acetamido]cyclohexane-1-carboxamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1N(C1(CCCCC1)C(NC1CCCC1)=O)C(Cc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C33H39N5O3/c1-23-30(31(40)38(36(23)2)26-15-5-3-6-16-26)37(29(39)21-24-22-34-28-18-10-9-17-27(24)28)33(19-11-4-12-20-33)32(41)35-25-13-7-8-14-25/h3,5-6,9-10,15-18,22,25,34H,4,7-8,11-14,19-21H2,1-2H3,(H,35,41)

InChI Key

NRGNQYMHVBLAQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08673581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.26

Polar Surface Area

68.874

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.40

C094-1821 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C094-1821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1821?
Check Price and Availability of C094-1821, 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 C094-1821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1821
  • 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 C094-1821 available by request