3330-2641 Screening compound: N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide

3330-2641 Screening compound: N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
3330-2641 Screening compound: N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-2641
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide

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

3330-2641

Molecular Formula

C17H15BrN4OS (C17 H15 BrN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(NCC(N2c(cc3)ccc3Br)=NNC2=S)=O)c1

InChI

InChI=1S/C17H15BrN4OS/c1-11-3-2-4-12(9-11)16(23)19-10-15-20-21-17(24)22(15)14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H,19,23)(H,21,24)

InChI Key

KKZYMSRBFZASAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.96

Polar Surface Area

51.514

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 3330-2641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-2641?
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What is the minimum amount of 3330-2641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-2641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-2641
  • 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 3330-2641 available by request