5236-0125 Screening compound: methyl 4-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}benzoate

5236-0125 Screening compound: methyl 4-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}benzoate
5236-0125 Screening compound: methyl 4-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5236-0125
methyl 4-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}benzoate

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

5236-0125

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

methyl 4-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 4-{2-[(5-methoxy-1H-13-benzodiazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nc(cc(cc2)OC)c2[nH]1)=O)=O

InChI

InChI=1S/C18H17N3O4S/c1-24-13-7-8-14-15(9-13)21-18(20-14)26-10-16(22)19-12-5-3-11(4-6-12)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)

InChI Key

RHHPKFJJSZUSNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03194609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.61

Polar Surface Area

69.847

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5236-0125 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5236-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0125?
Check Price and Availability of 5236-0125, 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 5236-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0125
  • 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 5236-0125 available by request