D011-4090 Screening compound: 1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

D011-4090 Screening compound: 1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol
D011-4090 Screening compound: 1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4090
1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-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

D011-4090

Molecular Formula

C16H14ClFN2O (C16 H14 ClFN2 O)

Compound Name

1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

IUPAC name

1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethan-1-ol

SMILES

CC(c1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl)O

InChI

InChI=1S/C16H14ClFN2O/c1-10(21)16-19-14-7-2-3-8-15(14)20(16)9-11-12(17)5-4-6-13(11)18/h2-8,10,21H,9H2,1H3/t10-/m0/s1

InChI Key

BITNFBMDDYSJPX-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04215140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-3.66

Polar Surface Area

26.178

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D011-4090 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-4090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4090?
Check Price and Availability of D011-4090, 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 D011-4090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4090
  • 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 D011-4090 available by request