6665-1184 Screening compound: 3-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

6665-1184 Screening compound: 3-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol
6665-1184 Screening compound: 3-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6665-1184
3-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}propan-1-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

6665-1184

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

3-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

IUPAC name

3-{1-[4-(2-methylphenoxy)butyl]-1H-13-benzodiazol-2-yl}propan-1-ol

SMILES

Cc(cccc1)c1OCCCCn1c(cccc2)c2nc1CCCO

InChI

InChI=1S/C21H26N2O2/c1-17-9-2-5-12-20(17)25-16-7-6-14-23-19-11-4-3-10-18(19)22-21(23)13-8-15-24/h2-5,9-12,24H,6-8,13-16H2,1H3

InChI Key

NWILLBVHFJIANZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04352477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.21

Polar Surface Area

35.282

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

6665-1184 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6665-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6665-1184?
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What is the minimum amount of 6665-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6665-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6665-1184
  • 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 6665-1184 available by request