D399-1056 Screening compound: 4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-ethoxyphenol

D399-1056 Screening compound: 4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-ethoxyphenol
D399-1056 Screening compound: 4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1056
4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-ethoxyphenol

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

D399-1056

Molecular Formula

C19H22ClNO2 (C19 H22 ClNO2)

Compound Name

4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-ethoxyphenol

IUPAC name

4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-ethoxyphenol

SMILES

CCOc(cc(CN(CCC1)C1c(cc1)ccc1Cl)cc1)c1O

InChI

InChI=1S/C19H22ClNO2/c1-2-23-19-12-14(5-10-18(19)22)13-21-11-3-4-17(21)15-6-8-16(20)9-7-15/h5-10,12,17,22H,2-4,11,13H2,1H3/t17-/m0/s1

InChI Key

IQVMMMAFPKFDFR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14826533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.052

Water Solubility, LogSw

-4.33

Polar Surface Area

27.683

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

D399-1056 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D399-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1056?
Check Price and Availability of D399-1056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D399-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1056
  • 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 D399-1056 available by request