D580-0510 Screening compound: N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

D580-0510 Screening compound: N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
D580-0510 Screening compound: N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0510
N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]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

D580-0510

Molecular Formula

C19H26FN5O3S2 (C19 H26 FN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(CSc1nnc(CN(c(cc2)ccc2F)S(C)(=O)=O)n1C)=O

InChI

InChI=1S/C19H26FN5O3S2/c1-14-8-10-24(11-9-14)18(26)13-29-19-22-21-17(23(19)2)12-25(30(3,27)28)16-6-4-15(20)5-7-16/h4-7,14H,8-13H2,1-3H3

InChI Key

BZBCWEPGNRXINP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

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

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-2.34

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 D580-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0510?
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What is the minimum amount of D580-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0510
  • 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 D580-0510 available by request