D583-0717 Screening compound: N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide

D583-0717 Screening compound: N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide
D583-0717 Screening compound: N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0717
N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide

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

D583-0717

Molecular Formula

C20H19ClN6O3S2 (C20 H19 ClN6 O3 S2)

Compound Name

N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide

IUPAC name

N-{[5-({[5-(4-chlorophenyl)-134-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-124-triazol-3-yl]methyl}-N-phenylmethanesulfonamide

SMILES

Cn1c(SCc2nnc(-c(cc3)ccc3Cl)o2)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H19ClN6O3S2/c1-26-17(12-27(32(2,28)29)16-6-4-3-5-7-16)22-25-20(26)31-13-18-23-24-19(30-18)14-8-10-15(21)11-9-14/h3-11H,12-13H2,1-2H3

InChI Key

YPCKPZDGPGXIJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.47

Polar Surface Area

87.798

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D583-0717 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D583-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0717?
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What is the minimum amount of D583-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0717
  • 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 D583-0717 available by request