C850-0138 Screening compound: 1-{5-chloro-4-[(2-methoxyethyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid

C850-0138 Screening compound: 1-{5-chloro-4-[(2-methoxyethyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid
C850-0138 Screening compound: 1-{5-chloro-4-[(2-methoxyethyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0138
1-{5-chloro-4-[(2-methoxyethyl)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

C850-0138

Molecular Formula

C18H24ClN3O4 (C18 H24 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(C=NN(C1(CC(C2)CC3CC2C1)C3C(O)=O)C1=O)=C1Cl

InChI

InChI=1S/C18H24ClN3O4/c1-26-3-2-20-13-9-21-22(16(23)15(13)19)18-7-10-4-11(8-18)6-12(5-10)14(18)17(24)25/h9-12,14,20H,2-8H2,1H3,(H,24,25)

InChI Key

KBJLQLWRUVGYPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06611426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

-0.618

Water Solubility, LogSw

-2.40

Polar Surface Area

73.147

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.20

References: we are preparing a list of scientific research reports with C850-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0138?
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What is the minimum amount of C850-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0138
  • 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 C850-0138 available by request