D399-1060 Screening compound: 4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}phenol

D399-1060 Screening compound: 4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}phenol
D399-1060 Screening compound: 4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-1060
4-{[2-(4-chlorophenyl)pyrrolidin-1-yl]methyl}phenol

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

D399-1060

Molecular Formula

C17H18ClNO (C17 H18 ClNO)

Compound Name

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

IUPAC name

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

SMILES

Oc1ccc(CN(CCC2)C2c(cc2)ccc2Cl)cc1

InChI

InChI=1S/C17H18ClNO/c18-15-7-5-14(6-8-15)17-2-1-11-19(17)12-13-3-9-16(20)10-4-13/h3-10,17,20H,1-2,11-12H2/t17-/m0/s1

InChI Key

IUQJFFGCSASNGU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14826534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.588

Water Solubility, LogSw

-4.14

Polar Surface Area

21.542

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

D399-1060 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 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
  • Nervous system
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-1060?
Check Price and Availability of D399-1060, 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 D399-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-1060
  • 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 D399-1060 available by request