D583-1790 Screening compound: N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

D583-1790 Screening compound: N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
D583-1790 Screening compound: N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-1790
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

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

D583-1790

Molecular Formula

C20H20ClFN4O3S2 (C20 H20 ClFN4 O3 S2)

Compound Name

N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

IUPAC name

N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-124-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

SMILES

CCn1c(SCC(c(cc2)ccc2Cl)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C20H20ClFN4O3S2/c1-3-25-19(12-26(31(2,28)29)17-10-8-16(22)9-11-17)23-24-20(25)30-13-18(27)14-4-6-15(21)7-5-14/h4-11H,3,12-13H2,1-2H3

InChI Key

MJNBHQRUELQPED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.90

Polar Surface Area

69.778

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D583-1790 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 D583-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-1790?
Check Price and Availability of D583-1790, 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 D583-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1790
  • 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 D583-1790 available by request