V018-1111 Screening compound: N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyacetamide

V018-1111 Screening compound: N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyacetamide
V018-1111 Screening compound: N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1111
N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyacetamide

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

V018-1111

Molecular Formula

C24H36FN5O2 (C24 H36 FN5 O2)

Compound Name

N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyacetamide

IUPAC name

N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyacetamide

SMILES

CCC(C)N(Cc(c(C)nn1-c2cccc(F)c2)c1N1CCN(CC)CC1)C(COC)=O

InChI

InChI=1S/C24H36FN5O2/c1-6-18(3)29(23(31)17-32-5)16-22-19(4)26-30(21-10-8-9-20(25)15-21)24(22)28-13-11-27(7-2)12-14-28/h8-10,15,18H,6-7,11-14,16-17H2,1-5H3/t18-/m0/s1

InChI Key

IQMBLIPARNVNHU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19940901

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-3.48

Polar Surface Area

44.159

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

V018-1111 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V018-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1111?
Check Price and Availability of V018-1111, 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 V018-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1111
  • 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 V018-1111 available by request