V016-8535 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-(2-methylpropyl)butanamide

V016-8535 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-(2-methylpropyl)butanamide
V016-8535 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-(2-methylpropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8535
N-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-(2-methylpropyl)butanamide

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

V016-8535

Molecular Formula

C29H46FN5O (C29 H46 FN5 O)

Compound Name

N-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-(2-methylpropyl)butanamide

IUPAC name

N-{[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}-33-dimethyl-N-(2-methylpropyl)butanamide

SMILES

CCc(c(CN(CC(C)C)C(CC(C)(C)C)=O)c1N(CC2)CCN2C(C)C)nn1-c(cc1)ccc1F

InChI

InChI=1S/C29H46FN5O/c1-9-26-25(20-34(19-21(2)3)27(36)18-29(6,7)8)28(33-16-14-32(15-17-33)22(4)5)35(31-26)24-12-10-23(30)11-13-24/h10-13,21-22H,9,14-20H2,1-8H3

InChI Key

WTAOWJUSBFVSOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942056

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.409

Distribution Coefficient, logD

3.980

Water Solubility, LogSw

-5.70

Polar Surface Area

37.423

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.50

References: we are preparing a list of scientific research reports with V016-8535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8535?
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What is the minimum amount of V016-8535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8535
  • 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 V016-8535 available by request