A0062099 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062099 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062099 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062099
4-(dimethylsulfamoyl)-N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}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

A0062099

Molecular Formula

C28H30N6O5S2 (C28 H30 N6 O5 S2)

Compound Name

4-(dimethylsulfamoyl)-N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

4-(dimethylsulfamoyl)-N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1cccc(-n2c(SCC(Nc(cc3)ccc3OC)=O)nnc2CNC(c(cc2)ccc2S(N(C)C)(=O)=O)=O)c1

InChI

InChI=1S/C28H30N6O5S2/c1-19-6-5-7-22(16-19)34-25(17-29-27(36)20-8-14-24(15-9-20)41(37,38)33(2)3)31-32-28(34)40-18-26(35)30-21-10-12-23(39-4)13-11-21/h5-16H,17-18H2,1-4H3,(H,29,36)(H,30,35)

InChI Key

IRQWGQORHDSZES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.72

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.94

Polar Surface Area

114.730

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with A0062099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062099?
Check Price and Availability of A0062099, 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 A0062099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062099
  • 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 A0062099 available by request