D510-0539 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol

D510-0539 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol
D510-0539 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-0539
1-(1H-1,3-benzodiazol-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-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

D510-0539

Molecular Formula

C17H17ClN2O2 (C17 H17 ClN2 O2)

Compound Name

1-(1H-1,3-benzodiazol-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol

IUPAC name

1-(1H-13-benzodiazol-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol

SMILES

Cc(cc(cc1)OCC(Cn2c(cccc3)c3nc2)O)c1Cl

InChI

InChI=1S/C17H17ClN2O2/c1-12-8-14(6-7-15(12)18)22-10-13(21)9-20-11-19-16-4-2-3-5-17(16)20/h2-8,11,13,21H,9-10H2,1H3/t13-/m0/s1

InChI Key

YWJPPRVPRQOMBW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14832876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.924

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-3.83

Polar Surface Area

34.542

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D510-0539 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D510-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-0539?
Check Price and Availability of D510-0539, 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 D510-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-0539
  • 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 D510-0539 available by request