C719-0101 Screening compound: 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid

C719-0101 Screening compound: 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid
C719-0101 Screening compound: 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0101
5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic 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

C719-0101

Molecular Formula

C21H21Cl2N3O3 (C21 H21 Cl2 N3 O3)

Compound Name

5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid

IUPAC name

5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-16-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid

SMILES

OC(c(cc(cc1)NC(C=NN(C2(CC(C3)C4)CC4CC3C2)C2=O)=C2Cl)c1Cl)=O

InChI

InChI=1S/C21H21Cl2N3O3/c22-16-2-1-14(6-15(16)20(28)29)25-17-10-24-26(19(27)18(17)23)21-7-11-3-12(8-21)5-13(4-11)9-21/h1-2,6,10-13,25H,3-5,7-9H2,(H,28,29)

InChI Key

IOGKQKDWPIDVFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-5.28

Polar Surface Area

63.904

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C719-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0101?
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What is the minimum amount of C719-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0101
  • 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 C719-0101 available by request