8019-2253 Screening compound: {1-[4-(4-chloro-3-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}methanol

8019-2253 Screening compound: {1-[4-(4-chloro-3-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}methanol
8019-2253 Screening compound: {1-[4-(4-chloro-3-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2253
{1-[4-(4-chloro-3-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}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

8019-2253

Molecular Formula

C19H21ClN2O2 (C19 H21 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)OCCCCn2c(cccc3)c3nc2CO)c1Cl

InChI

InChI=1S/C19H21ClN2O2/c1-14-12-15(8-9-16(14)20)24-11-5-4-10-22-18-7-3-2-6-17(18)21-19(22)13-23/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3

InChI Key

GXIVAWXCPMANBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06490610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.84

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

4.716

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-4.65

Polar Surface Area

35.655

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8019-2253 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-2253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2253?
Check Price and Availability of 8019-2253, 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 8019-2253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2253
  • 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 8019-2253 available by request