6877-0596 Screening compound: 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol

6877-0596 Screening compound: 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
6877-0596 Screening compound: 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6877-0596
2-(2,3-dihydro-1H-perimidin-2-yl)-6-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

6877-0596

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol

IUPAC name

2-(23-dihydro-1H-perimidin-2-yl)-6-methoxyphenol

SMILES

COc(cccc1C(N2)Nc3cccc4cccc2c34)c1O

InChI

InChI=1S/C18H16N2O2/c1-22-15-10-4-7-12(17(15)21)18-19-13-8-2-5-11-6-3-9-14(20-18)16(11)13/h2-10,18-21H,1H3

InChI Key

DWZZNCGUVUHLRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01038707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.85

Polar Surface Area

45.693

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6877-0596 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6877-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6877-0596?
Check Price and Availability of 6877-0596, 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 6877-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6877-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6877-0596
  • 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 6877-0596 available by request