6814-0013 Screening compound: 1-(3,5-dimethoxyphenoxy)-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propan-2-ol

6814-0013 Screening compound: 1-(3,5-dimethoxyphenoxy)-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propan-2-ol
6814-0013 Screening compound: 1-(3,5-dimethoxyphenoxy)-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6814-0013
1-(3,5-dimethoxyphenoxy)-3-(2-propyl-1H-1,3-benzodiazol-1-yl)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

6814-0013

Molecular Formula

C21H26N2O4 (C21 H26 N2 O4)

Compound Name

1-(3,5-dimethoxyphenoxy)-3-(2-propyl-1H-1,3-benzodiazol-1-yl)propan-2-ol

IUPAC name

1-(35-dimethoxyphenoxy)-3-(2-propyl-1H-13-benzodiazol-1-yl)propan-2-ol

SMILES

CCCc1nc(cccc2)c2n1CC(COc1cc(OC)cc(OC)c1)O

InChI

InChI=1S/C21H26N2O4/c1-4-7-21-22-19-8-5-6-9-20(19)23(21)13-15(24)14-27-18-11-16(25-2)10-17(12-18)26-3/h5-6,8-12,15,24H,4,7,13-14H2,1-3H3/t15-/m0/s1

InChI Key

QGHOYHJDDRYCSL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05239786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-4.31

Polar Surface Area

50.349

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

6814-0013 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6814-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6814-0013?
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What is the minimum amount of 6814-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6814-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6814-0013
  • 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 6814-0013 available by request