D232-0087 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-fluoro-N-[(oxolan-2-yl)methyl]benzamide

D232-0087 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-fluoro-N-[(oxolan-2-yl)methyl]benzamide
D232-0087 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-4-fluoro-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D232-0087
N-{[4-(dimethylamino)phenyl]methyl}-4-fluoro-N-[(oxolan-2-yl)methyl]benzamide

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

D232-0087

Molecular Formula

C21H25FN2O2 (C21 H25 FN2 O2)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-4-fluoro-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-4-fluoro-N-[(oxolan-2-yl)methyl]benzamide

SMILES

CN(C)c1ccc(CN(CC2OCCC2)C(c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C21H25FN2O2/c1-23(2)19-11-5-16(6-12-19)14-24(15-20-4-3-13-26-20)21(25)17-7-9-18(22)10-8-17/h5-12,20H,3-4,13-15H2,1-2H3/t20-/m1/s1

InChI Key

LWXXBEAEFBVDHW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06649293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.12

Polar Surface Area

27.637

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D232-0087 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D232-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D232-0087?
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What is the minimum amount of D232-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D232-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D232-0087
  • 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 D232-0087 available by request