3910-0350 Screening compound: propyl 4-[2-hydroxy-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate

3910-0350 Screening compound: propyl 4-[2-hydroxy-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate
3910-0350 Screening compound: propyl 4-[2-hydroxy-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3910-0350
propyl 4-[2-hydroxy-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propoxy]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

3910-0350

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

propyl 4-[2-hydroxy-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate

IUPAC name

propyl 4-[2-hydroxy-3-(2-propyl-1H-13-benzodiazol-1-yl)propoxy]benzoate

SMILES

CCCc1nc(cccc2)c2n1CC(COc(cc1)ccc1C(OCCC)=O)O

InChI

InChI=1S/C23H28N2O4/c1-3-7-22-24-20-8-5-6-9-21(20)25(22)15-18(26)16-29-19-12-10-17(11-13-19)23(27)28-14-4-2/h5-6,8-13,18,26H,3-4,7,14-16H2,1-2H3/t18-/m0/s1

InChI Key

WQYIZIRYYRFPAL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01409399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.47

Polar Surface Area

56.310

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

3910-0350 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3910-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3910-0350?
Check Price and Availability of 3910-0350, 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 3910-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3910-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3910-0350
  • 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 3910-0350 available by request