C798-1139 Screening compound: N-[1-(furan-2-yl)propan-2-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

C798-1139 Screening compound: N-[1-(furan-2-yl)propan-2-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
C798-1139 Screening compound: N-[1-(furan-2-yl)propan-2-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1139
N-[1-(furan-2-yl)propan-2-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

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

C798-1139

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

N-[1-(furan-2-yl)propan-2-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

IUPAC name

N-[1-(furan-2-yl)propan-2-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

SMILES

CC(Cc1ccco1)NC(CCSCc1c(-n2cccc2)n(-c2ccccc2)nc1)=O

InChI

InChI=1S/C24H26N4O2S/c1-19(16-22-10-7-14-30-22)26-23(29)11-15-31-18-20-17-25-28(21-8-3-2-4-9-21)24(20)27-12-5-6-13-27/h2-10,12-14,17,19H,11,15-16,18H2,1H3,(H,26,29)/t19-/m0/s1

InChI Key

IBGUAPUQMZZHRG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14799242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.860

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-4.38

Polar Surface Area

48.485

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C798-1139 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C798-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1139?
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What is the minimum amount of C798-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1139
  • 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 C798-1139 available by request