3136-0771 Screening compound: N-[(pyridin-4-yl)methyl]-9H-xanthene-9-carboxamide

3136-0771 Screening compound: N-[(pyridin-4-yl)methyl]-9H-xanthene-9-carboxamide
3136-0771 Screening compound: N-[(pyridin-4-yl)methyl]-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3136-0771
N-[(pyridin-4-yl)methyl]-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

3136-0771

Molecular Formula

C20H16N2O2 (C20 H16 N2 O2)

Compound Name

N-[(pyridin-4-yl)methyl]-9H-xanthene-9-carboxamide

IUPAC name

N-[(pyridin-4-yl)methyl]-9H-xanthene-9-carboxamide

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)NCc1ccncc1

InChI

InChI=1S/C20H16N2O2/c23-20(22-13-14-9-11-21-12-10-14)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)19/h1-12,19H,13H2,(H,22,23)

InChI Key

ZWSKECCMDHHLAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01337276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

-4.008

Water Solubility, LogSw

-2.52

Polar Surface Area

40.894

Acid Dissociation Constant (pKa)

1.10

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3136-0771 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3136-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3136-0771?
Check Price and Availability of 3136-0771, 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 3136-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3136-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3136-0771
  • 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 3136-0771 available by request