6228-0610 Screening compound: butyl 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoate

6228-0610 Screening compound: butyl 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoate
6228-0610 Screening compound: butyl 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0610
butyl 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)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

6228-0610

Molecular Formula

C19H26N2O2 (C19 H26 N2 O2)

Compound Name

butyl 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoate

IUPAC name

butyl 3-(1-benzyl-35-dimethyl-1H-pyrazol-4-yl)propanoate

SMILES

CCCCOC(CCc1c(C)n(Cc2ccccc2)nc1C)=O

InChI

InChI=1S/C19H26N2O2/c1-4-5-13-23-19(22)12-11-18-15(2)20-21(16(18)3)14-17-9-7-6-8-10-17/h6-10H,4-5,11-14H2,1-3H3

InChI Key

UFFRUCBUSGLVOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03140132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-3.93

Polar Surface Area

34.973

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

6228-0610 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6228-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0610?
Check Price and Availability of 6228-0610, 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 6228-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0610
  • 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 6228-0610 available by request