D583-1617 Screening compound: N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

D583-1617 Screening compound: N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
D583-1617 Screening compound: N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-1617
N-[(4-methyl-5-{[2-(4-methylpiperidin-1-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

D583-1617

Molecular Formula

C19H27N5O3S2 (C19 H27 N5 O3 S2)

Compound Name

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

IUPAC name

N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

SMILES

CC(CC1)CCN1C(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)=O

InChI

InChI=1S/C19H27N5O3S2/c1-15-9-11-23(12-10-15)18(25)14-28-19-21-20-17(22(19)2)13-24(29(3,26)27)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3

InChI Key

XYUJTCKFCOIULX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.423

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-2.33

Polar Surface Area

74.009

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with D583-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-1617?
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What is the minimum amount of D583-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1617
  • 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 D583-1617 available by request