C850-0007 Screening compound: 1-(4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl)adamantane-2-carboxylic acid

C850-0007 Screening compound: 1-(4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl)adamantane-2-carboxylic acid
C850-0007 Screening compound: 1-(4-{[4-(carboxymethyl)phenyl]amino}-5-chloro-6-oxo-1,6-dihydropyridazin-1-yl)adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0007
1-(4-{[4-(carboxymethyl)phenyl]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

C850-0007

Molecular Formula

C23H24ClN3O5 (C23 H24 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

OC(Cc(cc1)ccc1NC(C=NN(C1(CC(C2)CC3CC2C1)C3C(O)=O)C1=O)=C1Cl)=O

InChI

InChI=1S/C23H24ClN3O5/c24-20-17(26-16-3-1-12(2-4-16)8-18(28)29)11-25-27(21(20)30)23-9-13-5-14(10-23)7-15(6-13)19(23)22(31)32/h1-4,11,13-15,19,26H,5-10H2,(H,28,29)(H,31,32)

InChI Key

PVLLIAHTTYWYAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06603106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

-0.312

Water Solubility, LogSw

-3.53

Polar Surface Area

91.753

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

C850-0007 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C850-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0007?
Check Price and Availability of C850-0007, 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 C850-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0007
  • 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 C850-0007 available by request