D035-0129 Screening compound: 2-({3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

D035-0129 Screening compound: 2-({3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
D035-0129 Screening compound: 2-({3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D035-0129
2-({3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(4-methoxyphenyl)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

D035-0129

Molecular Formula

C20H17N5O3S2 (C20 H17 N5 O3 S2)

Compound Name

2-({3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

IUPAC name

2-({3-benzyl-4-oxo-4H-[134]thiadiazolo[23-c][124]triazin-7-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CSC(SC1=NN=C2Cc3ccccc3)=NN1C2=O)=O

InChI

InChI=1S/C20H17N5O3S2/c1-28-15-9-7-14(8-10-15)21-17(26)12-29-20-24-25-18(27)16(22-23-19(25)30-20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,26)

InChI Key

PBTKQPCXZRNLND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07721857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.26

Polar Surface Area

78.841

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D035-0129 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D035-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D035-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D035-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D035-0129
  • 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 D035-0129 available by request