C850-0073 Screening compound: 1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

C850-0073 Screening compound: 1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid
C850-0073 Screening compound: 1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0073
1-{5-chloro-4-[4-(2,3-dimethylphenyl)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

C850-0073

Molecular Formula

C27H33ClN4O3 (C27 H33 ClN4 O3)

Compound Name

1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

IUPAC name

1-{5-chloro-4-[4-(23-dimethylphenyl)piperazin-1-yl]-6-oxo-16-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

SMILES

Cc1cccc(N(CC2)CCN2C(C=NN(C2(CC(C3)CC4CC3C2)C4C(O)=O)C2=O)=C2Cl)c1C

InChI

InChI=1S/C27H33ClN4O3/c1-16-4-3-5-21(17(16)2)30-6-8-31(9-7-30)22-15-29-32(25(33)24(22)28)27-13-18-10-19(14-27)12-20(11-18)23(27)26(34)35/h3-5,15,18-20,23H,6-14H2,1-2H3,(H,34,35)

InChI Key

PSDDTMXSHBUCNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

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

4.795

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-4.52

Polar Surface Area

61.512

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

C850-0073 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C850-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0073?
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What is the minimum amount of C850-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0073
  • 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 C850-0073 available by request