D580-0534 Screening compound: 2-{2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide

D580-0534 Screening compound: 2-{2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
D580-0534 Screening compound: 2-{2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-0534
2-{2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide

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

D580-0534

Molecular Formula

C20H21FN6O4S2 (C20 H21 FN6 O4 S2)

Compound Name

2-{2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide

IUPAC name

2-{2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamido}benzamide

SMILES

Cn1c(SCC(Nc(cccc2)c2C(N)=O)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C20H21FN6O4S2/c1-26-17(11-27(33(2,30)31)14-9-7-13(21)8-10-14)24-25-20(26)32-12-18(28)23-16-6-4-3-5-15(16)19(22)29/h3-10H,11-12H2,1-2H3,(H2,22,29)(H,23,28)

InChI Key

HMLVZAOVBWEWIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.568

Distribution Coefficient, logD

0.568

Water Solubility, LogSw

-2.51

Polar Surface Area

114.127

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D580-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-0534?
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What is the minimum amount of D580-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-0534
  • 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 D580-0534 available by request