D583-0671 Screening compound: N-(5-chloro-2-hydroxyphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D583-0671 Screening compound: N-(5-chloro-2-hydroxyphenyl)-2-({4-methyl-5-[(N-phenylmethanesulfonamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D583-0671 Screening compound: N-(5-chloro-2-hydroxyphenyl)-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 D583-0671
N-(5-chloro-2-hydroxyphenyl)-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

D583-0671

Molecular Formula

C19H20ClN5O4S2 (C19 H20 ClN5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(Nc(cc(cc2)Cl)c2O)=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C19H20ClN5O4S2/c1-24-17(11-25(31(2,28)29)14-6-4-3-5-7-14)22-23-19(24)30-12-18(27)21-15-10-13(20)8-9-16(15)26/h3-10,26H,11-12H2,1-2H3,(H,21,27)

InChI Key

MMMRCROBIYKKQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.81

Polar Surface Area

96.616

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D583-0671 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D583-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-0671?
Check Price and Availability of D583-0671, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D583-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-0671
  • 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 D583-0671 available by request