D583-0741 Screening compound: N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

D583-0741 Screening compound: N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
D583-0741 Screening compound: N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0741
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-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

D583-0741

Molecular Formula

C18H25N5O4S2 (C18 H25 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(N2CCOCC2)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C18H25N5O4S2/c1-3-22-16(13-23(29(2,25)26)15-7-5-4-6-8-15)19-20-18(22)28-14-17(24)21-9-11-27-12-10-21/h4-8H,3,9-14H2,1-2H3

InChI Key

ZOFLRBNKWHMEGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.549

Distribution Coefficient, logD

0.549

Water Solubility, LogSw

-2.01

Polar Surface Area

80.832

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D583-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0741?
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What is the minimum amount of D583-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0741
  • 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 D583-0741 available by request