3330-2971 Screening compound: N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide

3330-2971 Screening compound: N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide
3330-2971 Screening compound: N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2971
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide

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

3330-2971

Molecular Formula

C20H22BrN5O3S2 (C20 H22 BrN5 O3 S2)

Compound Name

N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide

IUPAC name

N-{[4-(4-bromophenyl)-5-sulfanylidene-45-dihydro-1H-124-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide

SMILES

CCN(CC)S(c(cc1)ccc1C(NCC(N1c(cc2)ccc2Br)=NNC1=S)=O)(=O)=O

InChI

InChI=1S/C20H22BrN5O3S2/c1-3-25(4-2)31(28,29)17-11-5-14(6-12-17)19(27)22-13-18-23-24-20(30)26(18)16-9-7-15(21)8-10-16/h5-12H,3-4,13H2,1-2H3,(H,22,27)(H,24,30)

InChI Key

YYGQTKAYYQXQJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-3.75

Polar Surface Area

82.611

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3330-2971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2971?
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What is the minimum amount of 3330-2971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2971
  • 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 3330-2971 available by request