1465-0007 Screening compound: 3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propanoic acid

1465-0007 Screening compound: 3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propanoic acid
1465-0007 Screening compound: 3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1465-0007
3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propanoic 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

1465-0007

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)propanoic acid

IUPAC name

3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)propanoic acid

SMILES

Cc1cccc(OCCSc2nc(cccc3)c3n2CCC(O)=O)c1

InChI

InChI=1S/C19H20N2O3S/c1-14-5-4-6-15(13-14)24-11-12-25-19-20-16-7-2-3-8-17(16)21(19)10-9-18(22)23/h2-8,13H,9-12H2,1H3,(H,22,23)

InChI Key

FOCAKYCVXWBREO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

0.658

Water Solubility, LogSw

-3.66

Polar Surface Area

46.529

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

1465-0007 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1465-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1465-0007?
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What is the minimum amount of 1465-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1465-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1465-0007
  • 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 1465-0007 available by request