C301-1534 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydropyridazin-3-one

C301-1534 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydropyridazin-3-one
C301-1534 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1534
2-(adamantan-1-yl)-4-chloro-5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydropyridazin-3-one

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

C301-1534

Molecular Formula

C21H23ClFN3O (C21 H23 ClFN3 O)

Compound Name

2-(adamantan-1-yl)-4-chloro-5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydropyridazin-3-one

IUPAC name

2-(adamantan-1-yl)-4-chloro-5-{[(4-fluorophenyl)methyl]amino}-23-dihydropyridazin-3-one

SMILES

O=C1N(C2(CC(C3)C4)CC4CC3C2)N=CC(NCc(cc2)ccc2F)=C1Cl

InChI

InChI=1S/C21H23ClFN3O/c22-19-18(24-11-13-1-3-17(23)4-2-13)12-25-26(20(19)27)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16,24H,5-11H2

InChI Key

ANRSIGUDHUBZOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.60

Polar Surface Area

36.818

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C301-1534 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-1534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1534?
Check Price and Availability of C301-1534, 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 C301-1534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1534
  • 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 C301-1534 available by request