5786-1554 Screening compound: 1-(1-phenylethyl)-1H-1,3-benzodiazole-2-sulfonic acid

5786-1554 Screening compound: 1-(1-phenylethyl)-1H-1,3-benzodiazole-2-sulfonic acid
5786-1554 Screening compound: 1-(1-phenylethyl)-1H-1,3-benzodiazole-2-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1554
1-(1-phenylethyl)-1H-1,3-benzodiazole-2-sulfonic acid

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

5786-1554

Molecular Formula

C15H14N2O3S (C15 H14 N2 O3 S)

Compound Name

1-(1-phenylethyl)-1H-1,3-benzodiazole-2-sulfonic acid

IUPAC name

1-(1-phenylethyl)-1H-13-benzodiazole-2-sulfonic acid

SMILES

CC(c1ccccc1)n1c(S(O)(=O)=O)nc2c1cccc2

InChI

InChI=1S/C15H14N2O3S/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-15(17)21(18,19)20/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1

InChI Key

SEBTYIVNYOXSLM-NSHDSACASA-N

MDL Number (MFCD)

MFCD03670281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.255

Distribution Coefficient, logD

-12.536

Water Solubility, LogSw

-1.93

Polar Surface Area

54.230

Acid Dissociation Constant (pKa)

-3.34

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

5786-1554 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5786-1554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1554?
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What is the minimum amount of 5786-1554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1554
  • 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 5786-1554 available by request