6228-2244 Screening compound: propan-2-yl 4-(4-bromo-1-ethyl-1H-pyrazole-5-amido)benzoate

6228-2244 Screening compound: propan-2-yl 4-(4-bromo-1-ethyl-1H-pyrazole-5-amido)benzoate
6228-2244 Screening compound: propan-2-yl 4-(4-bromo-1-ethyl-1H-pyrazole-5-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2244
propan-2-yl 4-(4-bromo-1-ethyl-1H-pyrazole-5-amido)benzoate

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

6228-2244

Molecular Formula

C16H18BrN3O3 (C16 H18 BrN3 O3)

Compound Name

propan-2-yl 4-(4-bromo-1-ethyl-1H-pyrazole-5-amido)benzoate

IUPAC name

propan-2-yl 4-(4-bromo-1-ethyl-1H-pyrazole-5-amido)benzoate

SMILES

CCn1ncc(Br)c1C(Nc(cc1)ccc1C(OC(C)C)=O)=O

InChI

InChI=1S/C16H18BrN3O3/c1-4-20-14(13(17)9-18-20)15(21)19-12-7-5-11(6-8-12)16(22)23-10(2)3/h5-10H,4H2,1-3H3,(H,19,21)

InChI Key

PQCYGOOWNHMIIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.47

Polar Surface Area

56.717

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

6228-2244 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6228-2244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2244?
Check Price and Availability of 6228-2244, 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 6228-2244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2244
  • 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 6228-2244 available by request