C719-0027 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[(2-methoxy-5-methylphenyl)amino]-2,3-dihydropyridazin-3-one

C719-0027 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[(2-methoxy-5-methylphenyl)amino]-2,3-dihydropyridazin-3-one
C719-0027 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[(2-methoxy-5-methylphenyl)amino]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0027
2-(adamantan-1-yl)-4-chloro-5-[(2-methoxy-5-methylphenyl)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

C719-0027

Molecular Formula

C22H26ClN3O2 (C22 H26 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(C=NN(C2(CC(C3)C4)CC4CC3C2)C2=O)=C2Cl)c1OC

InChI

InChI=1S/C22H26ClN3O2/c1-13-3-4-19(28-2)17(5-13)25-18-12-24-26(21(27)20(18)23)22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,12,14-16,25H,6-11H2,1-2H3

InChI Key

JOUBYWBKUINHQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.936

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.95

Polar Surface Area

42.428

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with C719-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0027?
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What is the minimum amount of C719-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0027
  • 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 C719-0027 available by request