C850-0077 Screening compound: 1-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

C850-0077 Screening compound: 1-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid
C850-0077 Screening compound: 1-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0077
1-{5-chloro-4-[4-(2-methoxyphenyl)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

C850-0077

Molecular Formula

C26H31ClN4O4 (C26 H31 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1N(CC1)CCN1C(C=NN(C1(CC(C2)CC3CC2C1)C3C(O)=O)C1=O)=C1Cl

InChI

InChI=1S/C26H31ClN4O4/c1-35-21-5-3-2-4-19(21)29-6-8-30(9-7-29)20-15-28-31(24(32)23(20)27)26-13-16-10-17(14-26)12-18(11-16)22(26)25(33)34/h2-5,15-18,22H,6-14H2,1H3,(H,33,34)

InChI Key

SJUBZRRWKODFGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06604625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

1.336

Water Solubility, LogSw

-3.83

Polar Surface Area

69.143

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

References: we are preparing a list of scientific research reports with C850-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0077?
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What is the minimum amount of C850-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0077
  • 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 C850-0077 available by request