D186-0104 Screening compound: 1-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

D186-0104 Screening compound: 1-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol
D186-0104 Screening compound: 1-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0104
1-{1-[3-(3,5-dimethylphenoxy)propyl]-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

D186-0104

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

1-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

IUPAC name

1-{1-[3-(35-dimethylphenoxy)propyl]-1H-13-benzodiazol-2-yl}propan-1-ol

SMILES

CCC(c1nc(cccc2)c2n1CCCOc1cc(C)cc(C)c1)O

InChI

InChI=1S/C21H26N2O2/c1-4-20(24)21-22-18-8-5-6-9-19(18)23(21)10-7-11-25-17-13-15(2)12-16(3)14-17/h5-6,8-9,12-14,20,24H,4,7,10-11H2,1-3H3/t20-/m0/s1

InChI Key

ZEOWFFPZXZPPFW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08362171

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

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-4.57

Polar Surface Area

33.715

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D186-0104 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D186-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0104?
Check Price and Availability of D186-0104, 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 D186-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0104
  • 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 D186-0104 available by request