7162-0289 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole

7162-0289 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole
7162-0289 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7162-0289
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole

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

7162-0289

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

1-[2-(4-methoxyphenoxy)ethyl]-2-phenylmethanesulfonyl-1H-1,3-benzodiazole

IUPAC name

1-[2-(4-methoxyphenoxy)ethyl]-2-phenylmethanesulfonyl-1H-13-benzodiazole

SMILES

COc(cc1)ccc1OCCn1c(S(Cc2ccccc2)(=O)=O)nc2c1cccc2

InChI

InChI=1S/C23H22N2O4S/c1-28-19-11-13-20(14-12-19)29-16-15-25-22-10-6-5-9-21(22)24-23(25)30(26,27)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3

InChI Key

SMHZHRSNORJTCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.37

Polar Surface Area

54.825

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

7162-0289 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7162-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7162-0289?
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What is the minimum amount of 7162-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7162-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7162-0289
  • 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 7162-0289 available by request