6220-1325 Screening compound: 1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide

6220-1325 Screening compound: 1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
6220-1325 Screening compound: 1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-1325
1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}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

6220-1325

Molecular Formula

C21H22BrN5OS (C21 H22 BrN5 OS)

Compound Name

1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide

IUPAC name

1-{[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-45-dihydro-1H-124-triazol-1-yl]methyl}piperidine-4-carboxamide

SMILES

NC(C1CCN(CN(C2=S)N=C(c3cccc(Br)c3)N2c2ccccc2)CC1)=O

InChI

InChI=1S/C21H22BrN5OS/c22-17-6-4-5-16(13-17)20-24-26(14-25-11-9-15(10-12-25)19(23)28)21(29)27(20)18-7-2-1-3-8-18/h1-8,13,15H,9-12,14H2,(H2,23,28)

InChI Key

VWJJNZKSNLDMGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01420659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-3.42

Polar Surface Area

57.712

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 6220-1325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-1325?
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What is the minimum amount of 6220-1325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-1325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-1325
  • 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 6220-1325 available by request