8012-7012 Screening compound: 1-[5-(benzylamino)-3-methyl-2-phenyltetrahydro-1H-pyrazol-1-yl]-1-ethanone

8012-7012 Screening compound: 1-[5-(benzylamino)-3-methyl-2-phenyltetrahydro-1H-pyrazol-1-yl]-1-ethanone
8012-7012 Screening compound: 1-[5-(benzylamino)-3-methyl-2-phenyltetrahydro-1H-pyrazol-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7012
1-[5-(benzylamino)-3-methyl-2-phenyltetrahydro-1H-pyrazol-1-yl]-1-ethanone

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

8012-7012

Molecular Formula

C19H23N3O (C19 H23 N3 O)

Compound Name

1-[5-(benzylamino)-3-methyl-2-phenyltetrahydro-1H-pyrazol-1-yl]-1-ethanone

IUPAC name

1-[5-(benzylamino)-3-methyl-2-phenylpyrazolidin-1-yl]ethan-1-one

SMILES

CC(CC1NCc2ccccc2)N(c2ccccc2)N1C(C)=O

InChI

InChI=1S/C19H23N3O/c1-15-13-19(20-14-17-9-5-3-6-10-17)22(16(2)23)21(15)18-11-7-4-8-12-18/h3-12,15,19-20H,13-14H2,1-2H3

InChI Key

ZPGPYJUPNLTGAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01333129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.20

Polar Surface Area

31.354

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

8012-7012 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-7012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7012?
Check Price and Availability of 8012-7012, 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 8012-7012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7012
  • 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 8012-7012 available by request