D583-2343 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

D583-2343 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
D583-2343 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-2343
2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)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

D583-2343

Molecular Formula

C24H25N5O3S2 (C24 H25 N5 O3 S2)

Compound Name

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

IUPAC name

2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-124-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

SMILES

CCn1c(SCC(Nc2cccc3ccccc23)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C24H25N5O3S2/c1-3-28-22(16-29(34(2,31)32)19-12-5-4-6-13-19)26-27-24(28)33-17-23(30)25-21-15-9-11-18-10-7-8-14-20(18)21/h4-15H,3,16-17H2,1-2H3,(H,25,30)

InChI Key

NWVUTDDCGMBKBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.014

Water Solubility, LogSw

-3.40

Polar Surface Area

78.711

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D583-2343 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D583-2343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-2343?
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What is the minimum amount of D583-2343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-2343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-2343
  • 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 D583-2343 available by request