4953-2042 Screening compound: N-(2-pyridylmethyl)-10H-phenothiazine-10-carboxamide

4953-2042 Screening compound: N-(2-pyridylmethyl)-10H-phenothiazine-10-carboxamide
4953-2042 Screening compound: N-(2-pyridylmethyl)-10H-phenothiazine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-2042
N-(2-pyridylmethyl)-10H-phenothiazine-10-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

4953-2042

Molecular Formula

C19H15N3OS (C19 H15 N3 OS)

Compound Name

N-(2-pyridylmethyl)-10H-phenothiazine-10-carboxamide

IUPAC name

N-[(pyridin-2-yl)methyl]-10H-phenothiazine-10-carboxamide

SMILES

O=C(NCc1ncccc1)N1c(cccc2)c2Sc2c1cccc2

InChI

InChI=1S/C19H15N3OS/c23-19(21-13-14-7-5-6-12-20-14)22-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)22/h1-12H,13H2,(H,21,23)

InChI Key

BTXOHFJHZWJHLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03143949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

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

3.644

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-4.01

Polar Surface Area

33.556

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

4953-2042 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 4953-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-2042?
Check Price and Availability of 4953-2042, 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 4953-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-2042
  • 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 4953-2042 available by request