V016-8547 Screening compound: ethyl 3-({[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}(2-methylpropyl)carbamoyl)propanoate

V016-8547 Screening compound: ethyl 3-({[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}(2-methylpropyl)carbamoyl)propanoate
V016-8547 Screening compound: ethyl 3-({[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}(2-methylpropyl)carbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8547
ethyl 3-({[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}(2-methylpropyl)carbamoyl)propanoate

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

V016-8547

Molecular Formula

C29H44FN5O3 (C29 H44 FN5 O3)

Compound Name

ethyl 3-({[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}(2-methylpropyl)carbamoyl)propanoate

IUPAC name

ethyl 3-({[3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl]methyl}(2-methylpropyl)carbamoyl)propanoate

SMILES

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

InChI

InChI=1S/C29H44FN5O3/c1-7-26-25(20-34(19-21(3)4)27(36)13-14-28(37)38-8-2)29(33-17-15-32(16-18-33)22(5)6)35(31-26)24-11-9-23(30)10-12-24/h9-12,21-22H,7-8,13-20H2,1-6H3

InChI Key

QLRCOJLBZAAZBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942073

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-4.39

Polar Surface Area

57.581

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.10

V016-8547 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V016-8547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8547?
Check Price and Availability of V016-8547, 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 V016-8547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8547
  • 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 V016-8547 available by request