D399-2290 Screening compound: 4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl}-2,6-dimethoxyphenol

D399-2290 Screening compound: 4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl}-2,6-dimethoxyphenol
D399-2290 Screening compound: 4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl}-2,6-dimethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2290
4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl}-2,6-dimethoxyphenol

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

D399-2290

Molecular Formula

C19H22FNO3 (C19 H22 FNO3)

Compound Name

4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl}-2,6-dimethoxyphenol

IUPAC name

4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl}-26-dimethoxyphenol

SMILES

COc1cc(CN(CCC2)C2c2cccc(F)c2)cc(OC)c1O

InChI

InChI=1S/C19H22FNO3/c1-23-17-9-13(10-18(24-2)19(17)22)12-21-8-4-7-16(21)14-5-3-6-15(20)11-14/h3,5-6,9-11,16,22H,4,7-8,12H2,1-2H3/t16-/m0/s1

InChI Key

SXIPPPIDZBQMGM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14826606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.771

Distribution Coefficient, logD

0.149

Water Solubility, LogSw

-2.64

Polar Surface Area

34.665

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

10.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

D399-2290 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with D399-2290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2290?
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What is the minimum amount of D399-2290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2290
  • 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 D399-2290 available by request