J041-0006 Screening compound: N-(3-bromophenyl)-2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide

J041-0006 Screening compound: N-(3-bromophenyl)-2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide
J041-0006 Screening compound: N-(3-bromophenyl)-2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J041-0006
N-(3-bromophenyl)-2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide

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

J041-0006

Molecular Formula

C20H18BrN5O3S (C20 H18 BrN5 O3 S)

Compound Name

N-(3-bromophenyl)-2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-bromophenyl)-2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}acetamide

SMILES

CC(Nc(c(C)ccc1)c1C(C(N1)=O)=NN=C1SCC(Nc1cccc(Br)c1)=O)=O

InChI

InChI=1S/C20H18BrN5O3S/c1-11-5-3-8-15(17(11)22-12(2)27)18-19(29)24-20(26-25-18)30-10-16(28)23-14-7-4-6-13(21)9-14/h3-9H,10H2,1-2H3,(H,22,27)(H,23,28)(H,24,26,29)

InChI Key

OHCNDALFIZYIIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-3.13

Polar Surface Area

89.811

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with J041-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J041-0006?
Check Price and Availability of J041-0006, 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 J041-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J041-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J041-0006
  • 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 J041-0006 available by request