5103-0525 Screening compound: 3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-1,3-benzodiazol-3-ium

5103-0525 Screening compound: 3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-1,3-benzodiazol-3-ium
5103-0525 Screening compound: 3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5103-0525
3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-1,3-benzodiazol-3-ium

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

5103-0525

Molecular Formula

C20H24FN2O2 (C20 H24 FN2 O2)

Compound Name

3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-1,3-benzodiazol-3-ium

IUPAC name

3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-56-dimethyl-1H-13-benzodiazol-3-ium

SMILES

CC[n+]1cn(CC(COc(cc2)ccc2F)O)c2c1cc(C)c(C)c2

InChI

InChI=1S/C20H24FN2O2/c1-4-22-13-23(20-10-15(3)14(2)9-19(20)22)11-17(24)12-25-18-7-5-16(21)6-8-18/h5-10,13,17,24H,4,11-12H2,1-3H3/q+1/t17-/m0/s1

InChI Key

IUQRVVBNHTWHKR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03724305

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.17

Polar Surface Area

27.248

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

5103-0525 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5103-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5103-0525?
Check Price and Availability of 5103-0525, 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 5103-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5103-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5103-0525
  • 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 5103-0525 available by request