F707-1996 Screening compound: 1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[2-methyl-1-(thiophen-2-yl)propyl]piperidine-4-carboxamide

F707-1996 Screening compound: 1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[2-methyl-1-(thiophen-2-yl)propyl]piperidine-4-carboxamide
F707-1996 Screening compound: 1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[2-methyl-1-(thiophen-2-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F707-1996
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[2-methyl-1-(thiophen-2-yl)propyl]piperidine-4-carboxamide

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

F707-1996

Molecular Formula

C25H27ClN6OS (C25 H27 ClN6 OS)

Compound Name

1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[2-methyl-1-(thiophen-2-yl)propyl]piperidine-4-carboxamide

IUPAC name

1-[3-(4-chlorophenyl)-[124]triazolo[43-b]pyridazin-6-yl]-N-[2-methyl-1-(thiophen-2-yl)propyl]piperidine-4-carboxamide

SMILES

CC(C)C(c1cccs1)NC(C(CC1)CCN1c1nn2c(-c(cc3)ccc3Cl)nnc2cc1)=O

InChI

InChI=1S/C25H27ClN6OS/c1-16(2)23(20-4-3-15-34-20)27-25(33)18-11-13-31(14-12-18)22-10-9-21-28-29-24(32(21)30-22)17-5-7-19(26)8-6-17/h3-10,15-16,18,23H,11-14H2,1-2H3,(H,27,33)/t23-/m0/s1

InChI Key

YWCBOSBIRLAIHV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14964325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.84

Polar Surface Area

60.097

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

F707-1996 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F707-1996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F707-1996?
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What is the minimum amount of F707-1996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F707-1996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F707-1996
  • 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 F707-1996 available by request