3010-1966 Screening compound: N-[4-(benzyloxy)phenyl]-9H-xanthene-9-carboxamide

3010-1966 Screening compound: N-[4-(benzyloxy)phenyl]-9H-xanthene-9-carboxamide
3010-1966 Screening compound: N-[4-(benzyloxy)phenyl]-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3010-1966
N-[4-(benzyloxy)phenyl]-9H-xanthene-9-carboxamide

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

3010-1966

Molecular Formula

C27H21NO3 (C27 H21 NO3)

Compound Name

N-[4-(benzyloxy)phenyl]-9H-xanthene-9-carboxamide

IUPAC name

N-[4-(benzyloxy)phenyl]-9H-xanthene-9-carboxamide

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)Nc(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C27H21NO3/c29-27(26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26)28-20-14-16-21(17-15-20)30-18-19-8-2-1-3-9-19/h1-17,26H,18H2,(H,28,29)

InChI Key

PBIKJIZLVFZGNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.549

Distribution Coefficient, logD

-1.752

Water Solubility, LogSw

-5.92

Polar Surface Area

37.371

Acid Dissociation Constant (pKa)

-3.68

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

3010-1966 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3010-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3010-1966?
Check Price and Availability of 3010-1966, 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 3010-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3010-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3010-1966
  • 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 3010-1966 available by request