D491-9322 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-(pyridin-2-yl)propanamide

D491-9322 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-(pyridin-2-yl)propanamide
D491-9322 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-(pyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9322
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-(pyridin-2-yl)propanamide

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

D491-9322

Molecular Formula

C23H22ClFN2O2 (C23 H22 ClFN2 O2)

Compound Name

N-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-(pyridin-2-yl)propanamide

IUPAC name

N-[(2-chloro-6-fluorophenyl)methyl]-2-(35-dimethylphenoxy)-N-(pyridin-2-yl)propanamide

SMILES

CC(C(N(Cc(c(F)ccc1)c1Cl)c1ncccc1)=O)Oc1cc(C)cc(C)c1

InChI

InChI=1S/C23H22ClFN2O2/c1-15-11-16(2)13-18(12-15)29-17(3)23(28)27(22-9-4-5-10-26-22)14-19-20(24)7-6-8-21(19)25/h4-13,17H,14H2,1-3H3/t17-/m0/s1

InChI Key

BKLLHZIJOSBYQS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18076759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.783

Distribution Coefficient, logD

5.783

Water Solubility, LogSw

-5.92

Polar Surface Area

30.890

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D491-9322 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D491-9322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9322?
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What is the minimum amount of D491-9322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9322
  • 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 D491-9322 available by request