3715-0076 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

3715-0076 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
3715-0076 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3715-0076
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5,6-diphenyl-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

3715-0076

Molecular Formula

C29H25N7O3S2 (C29 H25 N7 O3 S2)

Compound Name

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

IUPAC name

N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(56-diphenyl-124-triazin-3-yl)sulfanyl]acetamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C29H25N7O3S2/c1-19-17-20(2)31-28(30-19)36-41(38,39)24-15-13-23(14-16-24)32-25(37)18-40-29-33-26(21-9-5-3-6-10-21)27(34-35-29)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3,(H,32,37)(H,30,31,36)

InChI Key

VOUJPEPJLNAQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.92

Polar Surface Area

114.502

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

3715-0076 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3715-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3715-0076?
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What is the minimum amount of 3715-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3715-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3715-0076
  • 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 3715-0076 available by request