C850-0052 Screening compound: 1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

C850-0052 Screening compound: 1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid
C850-0052 Screening compound: 1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0052
1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

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

C850-0052

Molecular Formula

C25H28ClFN4O3 (C25 H28 ClFN4 O3)

Compound Name

1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

IUPAC name

1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-16-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

SMILES

OC(C(C(CC(C1)C2)CC1C1)C12N(C1=O)N=CC(N(CC2)CCN2c(cccc2)c2F)=C1Cl)=O

InChI

InChI=1S/C25H28ClFN4O3/c26-22-20(30-7-5-29(6-8-30)19-4-2-1-3-18(19)27)14-28-31(23(22)32)25-12-15-9-16(13-25)11-17(10-15)21(25)24(33)34/h1-4,14-17,21H,5-13H2,(H,33,34)

InChI Key

VMXGSZGGSSCHHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

1.514

Water Solubility, LogSw

-4.12

Polar Surface Area

61.512

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with C850-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0052?
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What is the minimum amount of C850-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0052
  • 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 C850-0052 available by request