V005-4553 Screening compound: N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

V005-4553 Screening compound: N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
V005-4553 Screening compound: N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4553
N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

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

V005-4553

Molecular Formula

C19H27N3O2 (C19 H27 N3 O2)

Compound Name

N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

IUPAC name

N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-33-dimethylbutanamide

SMILES

CCCc([nH]nc1-c(cccc2)c2OC)c1NC(CC(C)(C)C)=O

InChI

InChI=1S/C19H27N3O2/c1-6-9-14-18(20-16(23)12-19(2,3)4)17(22-21-14)13-10-7-8-11-15(13)24-5/h7-8,10-11H,6,9,12H2,1-5H3,(H,20,23)(H,21,22)

InChI Key

JLNIGRVBFSUABV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14267473

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

329.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.05

Polar Surface Area

54.148

Acid Dissociation Constant (pKa)

16.15

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

V005-4553 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V005-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4553?
Check Price and Availability of V005-4553, 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 V005-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4553
  • 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 V005-4553 available by request