3910-0339 Screening compound: 1-[(1-bromonaphthalen-2-yl)oxy]-3-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)propan-2-ol

3910-0339 Screening compound: 1-[(1-bromonaphthalen-2-yl)oxy]-3-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)propan-2-ol
3910-0339 Screening compound: 1-[(1-bromonaphthalen-2-yl)oxy]-3-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3910-0339
1-[(1-bromonaphthalen-2-yl)oxy]-3-(5,6-dimethyl-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

3910-0339

Molecular Formula

C22H21BrN2O2 (C22 H21 BrN2 O2)

Compound Name

1-[(1-bromonaphthalen-2-yl)oxy]-3-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)propan-2-ol

IUPAC name

1-[(1-bromonaphthalen-2-yl)oxy]-3-(56-dimethyl-1H-13-benzodiazol-1-yl)propan-2-ol

SMILES

Cc(c(C)c1)cc2c1ncn2CC(COc(ccc1ccccc11)c1Br)O

InChI

InChI=1S/C22H21BrN2O2/c1-14-9-19-20(10-15(14)2)25(13-24-19)11-17(26)12-27-21-8-7-16-5-3-4-6-18(16)22(21)23/h3-10,13,17,26H,11-12H2,1-2H3/t17-/m0/s1

InChI Key

RVTIYJVWGJKANT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01850119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.33

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

5.577

Distribution Coefficient, logD

5.576

Water Solubility, LogSw

-6.40

Polar Surface Area

34.357

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

3910-0339 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3910-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3910-0339?
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What is the minimum amount of 3910-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3910-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3910-0339
  • 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 3910-0339 available by request