C301-1218 Screening compound: 3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]adamantane-1-carboxylic acid

C301-1218 Screening compound: 3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]adamantane-1-carboxylic acid
C301-1218 Screening compound: 3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]adamantane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1218
3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]adamantane-1-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

C301-1218

Molecular Formula

C25H29ClN4O3 (C25 H29 ClN4 O3)

Compound Name

3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]adamantane-1-carboxylic acid

IUPAC name

(5R7S)-3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)-16-dihydropyridazin-1-yl]adamantane-1-carboxylic acid

SMILES

OC(C(C[C@@H](C1)C2)(C[C@H]1C1)CC12N(C1=O)N=CC(N(CC2)CCN2c2ccccc2)=C1Cl)=O

InChI

InChI=1S/C25H29ClN4O3/c26-21-20(29-8-6-28(7-9-29)19-4-2-1-3-5-19)15-27-30(22(21)31)25-13-17-10-18(14-25)12-24(11-17,16-25)23(32)33/h1-5,15,17-18H,6-14,16H2,(H,32,33)/t17-,18-,24?,25?/m1/s1

InChI Key

TXMQGLINAGKFRT-LYBIEXDWSA-N

MDL Number (MFCD)

MFCD06610332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

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

4.241

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-4.29

Polar Surface Area

62.348

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

C301-1218 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1218?
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What is the minimum amount of C301-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1218
  • 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 C301-1218 available by request