D580-1718 Screening compound: 2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D580-1718 Screening compound: 2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D580-1718 Screening compound: 2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1718
2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-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

D580-1718

Molecular Formula

C14H19N5O3S2 (C14 H19 N5 O3 S2)

Compound Name

2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc(cc1)ccc1N(Cc(n1C)nnc1SCC(N)=O)S(C)(=O)=O

InChI

InChI=1S/C14H19N5O3S2/c1-10-4-6-11(7-5-10)19(24(3,21)22)8-13-16-17-14(18(13)2)23-9-12(15)20/h4-7H,8-9H2,1-3H3,(H2,15,20)

InChI Key

YDJXUPCYSCTWIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.214

Distribution Coefficient, logD

0.214

Water Solubility, LogSw

-1.98

Polar Surface Area

91.276

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D580-1718 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with D580-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1718?
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What is the minimum amount of D580-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1718
  • 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 D580-1718 available by request