D580-1741 Screening compound: N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

D580-1741 Screening compound: N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
D580-1741 Screening compound: N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1741
N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-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

D580-1741

Molecular Formula

C21H31N5O3S2 (C21 H31 N5 O3 S2)

Compound Name

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

IUPAC name

N-[(5-{[2-(35-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

SMILES

CC(CC(C)C1)CN1C(CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C)=O

InChI

InChI=1S/C21H31N5O3S2/c1-15-6-8-18(9-7-15)26(31(5,28)29)13-19-22-23-21(24(19)4)30-14-20(27)25-11-16(2)10-17(3)12-25/h6-9,16-17H,10-14H2,1-5H3

InChI Key

KVFRMTXFXPVAMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

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

2.553

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-2.69

Polar Surface Area

73.876

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with D580-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D580-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1741
  • 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 D580-1741 available by request