7600-0747 Screening compound: 1-[3-(hydroxymethyl)piperidin-1-yl]-9,10-dihydroanthracene-9,10-dione

7600-0747 Screening compound: 1-[3-(hydroxymethyl)piperidin-1-yl]-9,10-dihydroanthracene-9,10-dione
7600-0747 Screening compound: 1-[3-(hydroxymethyl)piperidin-1-yl]-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7600-0747
1-[3-(hydroxymethyl)piperidin-1-yl]-9,10-dihydroanthracene-9,10-dione

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

7600-0747

Molecular Formula

C20H19NO3 (C20 H19 NO3)

Compound Name

1-[3-(hydroxymethyl)piperidin-1-yl]-9,10-dihydroanthracene-9,10-dione

IUPAC name

1-[3-(hydroxymethyl)piperidin-1-yl]-910-dihydroanthracene-910-dione

SMILES

OCC(CCC1)CN1c(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C20H19NO3/c22-12-13-5-4-10-21(11-13)17-9-3-8-16-18(17)20(24)15-7-2-1-6-14(15)19(16)23/h1-3,6-9,13,22H,4-5,10-12H2/t13-/m0/s1

InChI Key

OQCWRIGPXNPYIV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14712893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.808

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.29

Polar Surface Area

46.381

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

7600-0747 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

SH2 Library (10483 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7600-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7600-0747?
Check Price and Availability of 7600-0747, 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 7600-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7600-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7600-0747
  • 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 7600-0747 available by request