C794-1427 Screening compound: N-(butan-2-yl)-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C794-1427 Screening compound: N-(butan-2-yl)-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
C794-1427 Screening compound: N-(butan-2-yl)-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1427
N-(butan-2-yl)-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]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

C794-1427

Molecular Formula

C25H34N6O2S (C25 H34 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(C(CC1)CCN1c1nnc(-n2c(CNc(cc3)ccc3OCC)ccc2)s1)=O

InChI

InChI=1S/C25H34N6O2S/c1-4-18(3)27-23(32)19-12-15-30(16-13-19)24-28-29-25(34-24)31-14-6-7-21(31)17-26-20-8-10-22(11-9-20)33-5-2/h6-11,14,18-19,26H,4-5,12-13,15-17H2,1-3H3,(H,27,32)/t18-/m0/s1

InChI Key

RVAVEDXBBFKODB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14796532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-3.97

Polar Surface Area

70.839

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

C794-1427 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C794-1427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1427?
Check Price and Availability of C794-1427, 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 C794-1427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1427
  • 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 C794-1427 available by request