C794-1426 Screening compound: 1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

C794-1426 Screening compound: 1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide
C794-1426 Screening compound: 1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1426
1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-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

C794-1426

Molecular Formula

C27H37N7O2S (C27 H37 N7 O2 S)

Compound Name

1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

IUPAC name

1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

SMILES

CCOc(cc1)ccc1NCc1cccn1-c1nnc(N(CC2)CCC2C(NCCN2CCCC2)=O)s1

InChI

InChI=1S/C27H37N7O2S/c1-2-36-24-9-7-22(8-10-24)29-20-23-6-5-16-34(23)27-31-30-26(37-27)33-17-11-21(12-18-33)25(35)28-13-19-32-14-3-4-15-32/h5-10,16,21,29H,2-4,11-15,17-20H2,1H3,(H,28,35)

InChI Key

ABHDNXXIOAOKCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

1.532

Water Solubility, LogSw

-3.67

Polar Surface Area

75.316

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

C794-1426 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C794-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1426?
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What is the minimum amount of C794-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1426
  • 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 C794-1426 available by request