D580-1622 Screening compound: N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

D580-1622 Screening compound: N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
D580-1622 Screening compound: N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1622
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)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

D580-1622

Molecular Formula

C19H27N5O4S2 (C19 H27 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-(4-methylphenyl)methanesulfonamide

IUPAC name

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

SMILES

CCn1c(SCC(N2CCOCC2)=O)nnc1CN(c1ccc(C)cc1)S(C)(=O)=O

InChI

InChI=1S/C19H27N5O4S2/c1-4-23-17(13-24(30(3,26)27)16-7-5-15(2)6-8-16)20-21-19(23)29-14-18(25)22-9-11-28-12-10-22/h5-8H,4,9-14H2,1-3H3

InChI Key

RNVOCHIAHLFYMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

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

1.094

Distribution Coefficient, logD

1.094

Water Solubility, LogSw

-2.20

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

52.60

References: we are preparing a list of scientific research reports with D580-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1622?
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What is the minimum amount of D580-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1622
  • 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 D580-1622 available by request