C719-0287 Screening compound: 2-(3-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantan-1-yl)acetic acid

C719-0287 Screening compound: 2-(3-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantan-1-yl)acetic acid
C719-0287 Screening compound: 2-(3-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantan-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0287
2-(3-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantan-1-yl)acetic 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

C719-0287

Molecular Formula

C27H33ClN4O4 (C27 H33 ClN4 O4)

Compound Name

2-(3-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}adamantan-1-yl)acetic acid

IUPAC name

2-(3-{5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-16-dihydropyridazin-1-yl}adamantan-1-yl)acetic acid

SMILES

COc(cccc1)c1N(CC1)CCN1C(C=NN(C1(CC(C2)C3)CC3(CC(O)=O)CC2C1)C1=O)=C1Cl

InChI

InChI=1S/C27H33ClN4O4/c1-36-22-5-3-2-4-20(22)30-6-8-31(9-7-30)21-16-29-32(25(35)24(21)28)27-13-18-10-19(14-27)12-26(11-18,17-27)15-23(33)34/h2-5,16,18-19H,6-15,17H2,1H3,(H,33,34)

InChI Key

HRSFQPURBOMMPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-4.28

Polar Surface Area

69.653

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.30

References: we are preparing a list of scientific research reports with C719-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0287?
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What is the minimum amount of C719-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0287
  • 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 C719-0287 available by request