D580-1632 Screening compound: 2-[(4-ethyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D580-1632 Screening compound: 2-[(4-ethyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D580-1632 Screening compound: 2-[(4-ethyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1632
2-[(4-ethyl-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

D580-1632

Molecular Formula

C15H21N5O3S2 (C15 H21 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(N)=O)nnc1CN(c1ccc(C)cc1)S(C)(=O)=O

InChI

InChI=1S/C15H21N5O3S2/c1-4-19-14(17-18-15(19)24-10-13(16)21)9-20(25(3,22)23)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H2,16,21)

InChI Key

VYDNJMWMMJZHSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.829

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-2.04

Polar Surface Area

90.190

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D580-1632 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 D580-1632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1632?
Check Price and Availability of D580-1632, 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 D580-1632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1632
  • 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 D580-1632 available by request