D583-2279 Screening compound: N-(3-chloro-4-methylphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-2279 Screening compound: N-(3-chloro-4-methylphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-2279 Screening compound: N-(3-chloro-4-methylphenyl)-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 D583-2279
N-(3-chloro-4-methylphenyl)-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

D583-2279

Molecular Formula

C20H22ClN5O3S2 (C20 H22 ClN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)=O)c1)c1Cl

InChI

InChI=1S/C20H22ClN5O3S2/c1-14-9-10-15(11-17(14)21)22-19(27)13-30-20-24-23-18(25(20)2)12-26(31(3,28)29)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,22,27)

InChI Key

CWTCAEITEOMKEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.01

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

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.48

Polar Surface Area

80.766

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D583-2279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-2279?
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What is the minimum amount of D583-2279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-2279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-2279
  • 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 D583-2279 available by request