D583-2382 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide

D583-2382 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide
D583-2382 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-2382
2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide

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

D583-2382

Molecular Formula

C21H25N5O3S2 (C21 H25 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(N(C)c2ccccc2)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C21H25N5O3S2/c1-4-25-19(15-26(31(3,28)29)18-13-9-6-10-14-18)22-23-21(25)30-16-20(27)24(2)17-11-7-5-8-12-17/h5-14H,4,15-16H2,1-3H3

InChI Key

PFGGEKGHBIBQFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.36

Polar Surface Area

71.644

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D583-2382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-2382?
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What is the minimum amount of D583-2382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-2382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-2382
  • 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 D583-2382 available by request