D583-0754 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide

D583-0754 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
D583-0754 Screening compound: 2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-0754
2-({4-ethyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)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

D583-0754

Molecular Formula

C20H22FN5O3S2 (C20 H22 FN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2cc(F)ccc2)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C20H22FN5O3S2/c1-3-25-18(13-26(31(2,28)29)17-10-5-4-6-11-17)23-24-20(25)30-14-19(27)22-16-9-7-8-15(21)12-16/h4-12H,3,13-14H2,1-2H3,(H,22,27)

InChI Key

QOOVJMRWONOSRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

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

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.07

Polar Surface Area

79.680

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D583-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0754?
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What is the minimum amount of D583-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0754
  • 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 D583-0754 available by request