R054-0010 Screening compound: 2-chloro-6-[(3-hydroxypropyl)amino]-1H-phenalen-1-one

R054-0010 Screening compound: 2-chloro-6-[(3-hydroxypropyl)amino]-1H-phenalen-1-one
R054-0010 Screening compound: 2-chloro-6-[(3-hydroxypropyl)amino]-1H-phenalen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound R054-0010
2-chloro-6-[(3-hydroxypropyl)amino]-1H-phenalen-1-one

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

R054-0010

Molecular Formula

C16H14ClNO2 (C16 H14 ClNO2)

Compound Name

2-chloro-6-[(3-hydroxypropyl)amino]-1H-phenalen-1-one

IUPAC name

2-chloro-6-[(3-hydroxypropyl)amino]-1H-phenalen-1-one

SMILES

OCCCNc(cc1)c(cccc2C3=O)c2c1C=C3Cl

InChI

InChI=1S/C16H14ClNO2/c17-13-9-10-5-6-14(18-7-2-8-19)11-3-1-4-12(15(10)11)16(13)20/h1,3-6,9,18-19H,2,7-8H2

InChI Key

HRTMJRGKWDPJHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.71

Polar Surface Area

39.339

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

R054-0010 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with R054-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R054-0010?
Check Price and Availability of R054-0010, 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 R054-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R054-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R054-0010
  • 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 R054-0010 available by request