V021-9818 Screening compound: 2-[benzyl(methyl)amino]-1-[3-(3-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

V021-9818 Screening compound: 2-[benzyl(methyl)amino]-1-[3-(3-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
V021-9818 Screening compound: 2-[benzyl(methyl)amino]-1-[3-(3-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9818
2-[benzyl(methyl)amino]-1-[3-(3-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

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

V021-9818

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

2-[benzyl(methyl)amino]-1-[3-(3-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

2-[benzyl(methyl)amino]-1-[3-(3-methoxyphenyl)-5-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

Cc1ccc(C(C2)N(C(CN(C)Cc3ccccc3)=O)N=C2c2cc(OC)ccc2)cc1

InChI

InChI=1S/C27H29N3O2/c1-20-12-14-22(15-13-20)26-17-25(23-10-7-11-24(16-23)32-3)28-30(26)27(31)19-29(2)18-21-8-5-4-6-9-21/h4-16,26H,17-19H2,1-3H3/t26-/m0/s1

InChI Key

JYMMBMNLYANFMC-SANMLTNESA-N

MDL Number (MFCD)

MFCD19885355

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-5.08

Polar Surface Area

38.247

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V021-9818 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V021-9818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9818?
Check Price and Availability of V021-9818, 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 V021-9818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9818
  • 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 V021-9818 available by request