V018-8612 Screening compound: N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-phenylbutanamide

V018-8612 Screening compound: N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-phenylbutanamide
V018-8612 Screening compound: N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8612
N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-phenylbutanamide

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

V018-8612

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-phenylbutanamide

IUPAC name

N-[3-(34-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-phenylbutanamide

SMILES

CCC(C(Nc1c(C2CCOCC2)[nH]nc1-c(cc1)cc(OC)c1OC)=O)c1ccccc1

InChI

InChI=1S/C26H31N3O4/c1-4-20(17-8-6-5-7-9-17)26(30)27-25-23(18-12-14-33-15-13-18)28-29-24(25)19-10-11-21(31-2)22(16-19)32-3/h5-11,16,18,20H,4,12-15H2,1-3H3,(H,27,30)(H,28,29)/t20-/m1/s1

InChI Key

VQUWNYSOIJKNNT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14266144

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.29

Polar Surface Area

69.055

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V018-8612 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V018-8612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8612?
Check Price and Availability of V018-8612, 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 V018-8612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8612
  • 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 V018-8612 available by request