C301-1533 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[(3-ethylphenyl)amino]-2,3-dihydropyridazin-3-one

C301-1533 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[(3-ethylphenyl)amino]-2,3-dihydropyridazin-3-one
C301-1533 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[(3-ethylphenyl)amino]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1533
2-(adamantan-1-yl)-4-chloro-5-[(3-ethylphenyl)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

C301-1533

Molecular Formula

C22H26ClN3O (C22 H26 ClN3 O)

Compound Name

2-(adamantan-1-yl)-4-chloro-5-[(3-ethylphenyl)amino]-2,3-dihydropyridazin-3-one

IUPAC name

2-(adamantan-1-yl)-4-chloro-5-[(3-ethylphenyl)amino]-23-dihydropyridazin-3-one

SMILES

CCc1cccc(NC(C=NN(C2(CC(C3)C4)CC4CC3C2)C2=O)=C2Cl)c1

InChI

InChI=1S/C22H26ClN3O/c1-2-14-4-3-5-18(9-14)25-19-13-24-26(21(27)20(19)23)22-10-15-6-16(11-22)8-17(7-15)12-22/h3-5,9,13,15-17,25H,2,6-8,10-12H2,1H3

InChI Key

FEYXDSWQBKHIOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.92

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

5.630

Distribution Coefficient, logD

5.630

Water Solubility, LogSw

-5.96

Polar Surface Area

35.496

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

C301-1533 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-1533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1533?
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What is the minimum amount of C301-1533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1533
  • 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 C301-1533 available by request