C850-0096 Screening compound: 1-{4-[(3-carboxyphenyl)amino]-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

C850-0096 Screening compound: 1-{4-[(3-carboxyphenyl)amino]-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid
C850-0096 Screening compound: 1-{4-[(3-carboxyphenyl)amino]-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0096
1-{4-[(3-carboxyphenyl)amino]-5-chloro-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

C850-0096

Molecular Formula

C22H22ClN3O5 (C22 H22 ClN3 O5)

Compound Name

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

IUPAC name

1-{4-[(3-carboxyphenyl)amino]-5-chloro-6-oxo-16-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

SMILES

OC(C(C(CC(C1)C2)CC1C1)C12N(C1=O)N=CC(Nc2cc(C(O)=O)ccc2)=C1Cl)=O

InChI

InChI=1S/C22H22ClN3O5/c23-18-16(25-15-3-1-2-13(7-15)20(28)29)10-24-26(19(18)27)22-8-11-4-12(9-22)6-14(5-11)17(22)21(30)31/h1-3,7,10-12,14,17,25H,4-6,8-9H2,(H,28,29)(H,30,31)

InChI Key

QUJOCYYXDDYAMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06601945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

0.732

Water Solubility, LogSw

-3.80

Polar Surface Area

91.777

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

C850-0096 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C850-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0096?
Check Price and Availability of C850-0096, 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 C850-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0096
  • 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 C850-0096 available by request