D399-1004 Screening compound: 5-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-methoxyphenol

D399-1004 Screening compound: 5-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-methoxyphenol
D399-1004 Screening compound: 5-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1004
5-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-methoxyphenol

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

D399-1004

Molecular Formula

C18H20ClNO2 (C18 H20 ClNO2)

Compound Name

5-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-methoxyphenol

IUPAC name

5-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}-2-methoxyphenol

SMILES

COc(ccc(CN(CCC1)C1c(cc1)ccc1Cl)c1)c1O

InChI

InChI=1S/C18H20ClNO2/c1-22-18-9-4-13(11-17(18)21)12-20-10-2-3-16(20)14-5-7-15(19)8-6-14/h4-9,11,16,21H,2-3,10,12H2,1H3/t16-/m0/s1

InChI Key

RRKSGKUTMXWMIG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14826524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.86

Polar Surface Area

28.104

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D399-1004 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1004?
Check Price and Availability of D399-1004, 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 D399-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1004
  • 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 D399-1004 available by request