6970-0052 Screening compound: 2-(4-propoxybenzoyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-ol

6970-0052 Screening compound: 2-(4-propoxybenzoyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-ol
6970-0052 Screening compound: 2-(4-propoxybenzoyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6970-0052
2-(4-propoxybenzoyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-ol

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

6970-0052

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

2-(4-propoxybenzoyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-ol

IUPAC name

2-(4-propoxybenzoyl)-4567-tetrahydro-1H-13-benzodiazol-1-ol

SMILES

CCCOc(cc1)ccc1C(c1nc(CCCC2)c2n1O)=O

InChI

InChI=1S/C17H20N2O3/c1-2-11-22-13-9-7-12(8-10-13)16(20)17-18-14-5-3-4-6-15(14)19(17)21/h7-10,21H,2-6,11H2,1H3

InChI Key

UQRVSWQAJHQMIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06606176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-3.24

Polar Surface Area

50.329

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

6970-0052 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6970-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6970-0052?
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What is the minimum amount of 6970-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6970-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6970-0052
  • 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 6970-0052 available by request