C850-0019 Screening compound: 1-{5-chloro-4-[(2,5-dimethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

C850-0019 Screening compound: 1-{5-chloro-4-[(2,5-dimethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid
C850-0019 Screening compound: 1-{5-chloro-4-[(2,5-dimethoxyphenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0019
1-{5-chloro-4-[(2,5-dimethoxyphenyl)amino]-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

C850-0019

Molecular Formula

C23H26ClN3O5 (C23 H26 ClN3 O5)

Compound Name

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

IUPAC name

1-{5-chloro-4-[(25-dimethoxyphenyl)amino]-6-oxo-16-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

SMILES

COc(cc1)cc(NC(C=NN(C2(CC(C3)CC4CC3C2)C4C(O)=O)C2=O)=C2Cl)c1OC

InChI

InChI=1S/C23H26ClN3O5/c1-31-15-3-4-18(32-2)16(8-15)26-17-11-25-27(21(28)20(17)24)23-9-12-5-13(10-23)7-14(6-12)19(23)22(29)30/h3-4,8,11-14,19,26H,5-7,9-10H2,1-2H3,(H,29,30)

InChI Key

LKICVQOKNMYJIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06613357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

1.101

Water Solubility, LogSw

-3.73

Polar Surface Area

77.846

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C850-0019 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C850-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0019?
Check Price and Availability of C850-0019, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C850-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0019
  • 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 C850-0019 available by request