8401-0028 Screening compound: 3-[(1E)-2-(2-chlorophenyl)ethenyl]-5-(2-hydroxyphenyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

8401-0028 Screening compound: 3-[(1E)-2-(2-chlorophenyl)ethenyl]-5-(2-hydroxyphenyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide
8401-0028 Screening compound: 3-[(1E)-2-(2-chlorophenyl)ethenyl]-5-(2-hydroxyphenyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8401-0028
3-[(1E)-2-(2-chlorophenyl)ethenyl]-5-(2-hydroxyphenyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

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

8401-0028

Molecular Formula

C18H17ClN4O3S (C18 H17 ClN4 O3 S)

Compound Name

3-[(1E)-2-(2-chlorophenyl)ethenyl]-5-(2-hydroxyphenyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

IUPAC name

3-[(1E)-2-(2-chlorophenyl)ethenyl]-5-(2-hydroxyphenyl)-NN-dimethyl-1H-124-triazole-1-sulfonamide

SMILES

CN(C)S(n1nc(/C=C/c(cccc2)c2Cl)nc1-c(cccc1)c1O)(=O)=O

InChI

InChI=1S/C18H17ClN4O3S/c1-22(2)27(25,26)23-18(14-8-4-6-10-16(14)24)20-17(21-23)12-11-13-7-3-5-9-15(13)19/h3-12,24H,1-2H3

InChI Key

WTJGRNTTYZMDIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07183971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.77

Polar Surface Area

71.717

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8401-0028 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8401-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8401-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8401-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8401-0028
  • 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 8401-0028 available by request