D583-1625 Screening compound: N-(2-cyanophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-1625 Screening compound: N-(2-cyanophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-1625 Screening compound: N-(2-cyanophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-1625
N-(2-cyanophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)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

D583-1625

Molecular Formula

C20H20N6O3S2 (C20 H20 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(Nc(cccc2)c2C#N)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H20N6O3S2/c1-25-18(13-26(31(2,28)29)16-9-4-3-5-10-16)23-24-20(25)30-14-19(27)22-17-11-7-6-8-15(17)12-21/h3-11H,13-14H2,1-2H3,(H,22,27)

InChI Key

MXAYXMPPWINPCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.247

Distribution Coefficient, logD

1.246

Water Solubility, LogSw

-2.58

Polar Surface Area

97.124

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D583-1625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-1625?
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What is the minimum amount of D583-1625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1625
  • 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 D583-1625 available by request