D186-0052 Screening compound: 1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

D186-0052 Screening compound: 1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol
D186-0052 Screening compound: 1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0052
1-{1-[(3-methylphenyl)methyl]-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

D186-0052

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

IUPAC name

1-{1-[(3-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}propan-1-ol

SMILES

CCC(c1nc(cccc2)c2n1Cc1cc(C)ccc1)O

InChI

InChI=1S/C18H20N2O/c1-3-17(21)18-19-15-9-4-5-10-16(15)20(18)12-14-8-6-7-13(2)11-14/h4-11,17,21H,3,12H2,1-2H3/t17-/m0/s1

InChI Key

NXTVBMAWUUISBY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12961756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.32

Polar Surface Area

26.319

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D186-0052 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D186-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0052?
Check Price and Availability of D186-0052, 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 D186-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0052
  • 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 D186-0052 available by request