7838-0093 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazole-2-sulfonic acid

7838-0093 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazole-2-sulfonic acid
7838-0093 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazole-2-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7838-0093
1-[2-(4-methylphenoxy)ethyl]-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

7838-0093

Molecular Formula

C16H16N2O4S (C16 H16 N2 O4 S)

Compound Name

1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazole-2-sulfonic acid

IUPAC name

1-[2-(4-methylphenoxy)ethyl]-1H-13-benzodiazole-2-sulfonic acid

SMILES

Cc(cc1)ccc1OCCn1c(S(O)(=O)=O)nc2c1cccc2

InChI

InChI=1S/C16H16N2O4S/c1-12-6-8-13(9-7-12)22-11-10-18-15-5-3-2-4-14(15)17-16(18)23(19,20)21/h2-9H,10-11H2,1H3,(H,19,20,21)

InChI Key

LRXFEUCCBHBVDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.633

Distribution Coefficient, logD

-12.158

Water Solubility, LogSw

-2.12

Polar Surface Area

60.930

Acid Dissociation Constant (pKa)

-3.34

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

7838-0093 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7838-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7838-0093?
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What is the minimum amount of 7838-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7838-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7838-0093
  • 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 7838-0093 available by request