D125-0725 Screening compound: [1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl](phenyl)methanol

D125-0725 Screening compound: [1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl](phenyl)methanol
D125-0725 Screening compound: [1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl](phenyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-0725
[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl](phenyl)methanol

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

D125-0725

Molecular Formula

C19H22N2O (C19 H22 N2 O)

Compound Name

[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl](phenyl)methanol

IUPAC name

[1-(3-methylbutyl)-1H-13-benzodiazol-2-yl](phenyl)methanol

SMILES

CC(C)CCn1c(cccc2)c2nc1C(c1ccccc1)O

InChI

InChI=1S/C19H22N2O/c1-14(2)12-13-21-17-11-7-6-10-16(17)20-19(21)18(22)15-8-4-3-5-9-15/h3-11,14,18,22H,12-13H2,1-2H3/t18-/m1/s1

InChI Key

RZBPISKWNISIJI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD08143975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.15

Polar Surface Area

25.830

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D125-0725 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D125-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-0725?
Check Price and Availability of D125-0725, 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 D125-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-0725
  • 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 D125-0725 available by request