D186-0042 Screening compound: 1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

D186-0042 Screening compound: 1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol
D186-0042 Screening compound: 1-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0042
1-{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

D186-0042

Molecular Formula

C17H16ClFN2O (C17 H16 ClFN2 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H16ClFN2O/c1-2-16(22)17-20-14-8-3-4-9-15(14)21(17)10-11-12(18)6-5-7-13(11)19/h3-9,16,22H,2,10H2,1H3/t16-/m0/s1

InChI Key

JKUUZQVGGIOKER-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08143994

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

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.329

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.18

Polar Surface Area

26.319

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D186-0042 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 D186-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0042?
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What is the minimum amount of D186-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0042
  • 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 D186-0042 available by request