4572-0559 Screening compound: 1-[(1-bromonaphthalen-2-yl)oxy]-3-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol

4572-0559 Screening compound: 1-[(1-bromonaphthalen-2-yl)oxy]-3-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol
4572-0559 Screening compound: 1-[(1-bromonaphthalen-2-yl)oxy]-3-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4572-0559
1-[(1-bromonaphthalen-2-yl)oxy]-3-[2-(trifluoromethyl)-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

4572-0559

Molecular Formula

C21H16BrF3N2O2 (C21 H16 BrF3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

OC(Cn1c(cccc2)c2nc1C(F)(F)F)COc(ccc1ccccc11)c1Br

InChI

InChI=1S/C21H16BrF3N2O2/c22-19-15-6-2-1-5-13(15)9-10-18(19)29-12-14(28)11-27-17-8-4-3-7-16(17)26-20(27)21(23,24)25/h1-10,14,28H,11-12H2/t14-/m0/s1

InChI Key

BGQVCDLIYSMHOH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02583189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.050

Distribution Coefficient, logD

6.050

Water Solubility, LogSw

-6.94

Polar Surface Area

34.101

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4572-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4572-0559?
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What is the minimum amount of 4572-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4572-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4572-0559
  • 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 4572-0559 available by request