8018-1115 Screening compound: 3-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid

8018-1115 Screening compound: 3-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid
8018-1115 Screening compound: 3-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1115
3-{2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic 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

8018-1115

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

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

IUPAC name

3-{2-[(5-methoxy-1H-13-benzodiazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1NC(CSc1nc(cc(cc2)OC)c2[nH]1)=O

InChI

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

InChI Key

MDYRCEZNRQFYDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.801

Distribution Coefficient, logD

0.334

Water Solubility, LogSw

-3.21

Polar Surface Area

76.383

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-1115 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1115?
Check Price and Availability of 8018-1115, 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 8018-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1115
  • 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 8018-1115 available by request