5010-0470 Screening compound: 3-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-ethyl-5,6-dimethyl-3H-1,3-benzimidazol-1-ium

5010-0470 Screening compound: 3-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-ethyl-5,6-dimethyl-3H-1,3-benzimidazol-1-ium
5010-0470 Screening compound: 3-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-ethyl-5,6-dimethyl-3H-1,3-benzimidazol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5010-0470
3-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-ethyl-5,6-dimethyl-3H-1,3-benzimidazol-1-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

5010-0470

Molecular Formula

C20H31N2O2 (C20 H31 N2 O2)

Compound Name

3-[3-(cyclohexyloxy)-2-hydroxypropyl]-1-ethyl-5,6-dimethyl-3H-1,3-benzimidazol-1-ium

IUPAC name

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

SMILES

CC[n+]1cn(CC(COC2CCCCC2)O)c2c1cc(C)c(C)c2

InChI

InChI=1S/C20H31N2O2/c1-4-21-14-22(20-11-16(3)15(2)10-19(20)21)12-17(23)13-24-18-8-6-5-7-9-18/h10-11,14,17-18,23H,4-9,12-13H2,1-3H3/q+1/t17-/m0/s1

InChI Key

NWTJQDJFOVXUAB-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

331.48

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

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.04

Polar Surface Area

26.954

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

5010-0470 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 5010-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5010-0470?
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What is the minimum amount of 5010-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5010-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5010-0470
  • 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 5010-0470 available by request