D011-4273 Screening compound: 3-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

D011-4273 Screening compound: 3-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol
D011-4273 Screening compound: 3-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4273
3-{1-[(2-chloro-6-fluorophenyl)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

D011-4273

Molecular Formula

C17H16ClFN2O (C17 H16 ClFN2 O)

Compound Name

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

IUPAC name

3-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}propan-1-ol

SMILES

OCCCc1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C17H16ClFN2O/c18-13-5-3-6-14(19)12(13)11-21-16-8-2-1-7-15(16)20-17(21)9-4-10-22/h1-3,5-8,22H,4,9-11H2

InChI Key

VLSCBDFRMSQISZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.78

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

3.609

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-3.54

Polar Surface Area

27.799

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D011-4273 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-4273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4273?
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What is the minimum amount of D011-4273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4273
  • 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 D011-4273 available by request