D583-2306 Screening compound: N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-2306 Screening compound: N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-2306 Screening compound: N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-2306
N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

D583-2306

Molecular Formula

C19H19ClFN5O3S2 (C19 H19 ClFN5 O3 S2)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cn1c(SCC(Nc(cc2)cc(Cl)c2F)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C19H19ClFN5O3S2/c1-25-17(11-26(31(2,28)29)14-6-4-3-5-7-14)23-24-19(25)30-12-18(27)22-13-8-9-16(21)15(20)10-13/h3-10H,11-12H2,1-2H3,(H,22,27)

InChI Key

DSPCCWKGAKABLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-3.41

Polar Surface Area

80.766

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D583-2306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-2306?
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What is the minimum amount of D583-2306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-2306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-2306
  • 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 D583-2306 available by request