C794-1612 Screening compound: N-({1-[5-(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-ethoxyaniline

C794-1612 Screening compound: N-({1-[5-(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-ethoxyaniline
C794-1612 Screening compound: N-({1-[5-(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-ethoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1612
N-({1-[5-(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-ethoxyaniline

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

C794-1612

Molecular Formula

C31H43N7O2S (C31 H43 N7 O2 S)

Compound Name

N-({1-[5-(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-ethoxyaniline

IUPAC name

N-({1-[5-(4-{[14'-bipiperidine]-1'-carbonyl}piperidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-ethoxyaniline

SMILES

CCOc(cc1)ccc1NCc1cccn1-c1nnc(N(CC2)CCC2C(N(CC2)CCC2N2CCCCC2)=O)s1

InChI

InChI=1S/C31H43N7O2S/c1-2-40-28-10-8-25(9-11-28)32-23-27-7-6-18-38(27)31-34-33-30(41-31)37-19-12-24(13-20-37)29(39)36-21-14-26(15-22-36)35-16-4-3-5-17-35/h6-11,18,24,26,32H,2-5,12-17,19-23H2,1H3

InChI Key

XIEZPUNRDLAISL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-4.33

Polar Surface Area

66.454

Acid Dissociation Constant (pKa)

20.04

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.10

C794-1612 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1612?
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What is the minimum amount of C794-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1612
  • 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 C794-1612 available by request