Y206-4102 Screening compound: N~3~-(4-bromophenyl)-1-ethyl-1H-pyrazole-3-carboxamide

Y206-4102 Screening compound: N~3~-(4-bromophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
Y206-4102 Screening compound: N~3~-(4-bromophenyl)-1-ethyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-4102
N~3~-(4-bromophenyl)-1-ethyl-1H-pyrazole-3-carboxamide

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

Y206-4102

Molecular Formula

C12H12BrN3O (C12 H12 BrN3 O)

Compound Name

N~3~-(4-bromophenyl)-1-ethyl-1H-pyrazole-3-carboxamide

IUPAC name

N-(4-bromophenyl)-1-ethyl-1H-pyrazole-3-carboxamide

SMILES

CCn(cc1)nc1C(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C12H12BrN3O/c1-2-16-8-7-11(15-16)12(17)14-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,14,17)

InChI Key

BMZRBYYXULIJLO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-3.02

Polar Surface Area

37.715

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y206-4102 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y206-4102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-4102?
Check Price and Availability of Y206-4102, 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 Y206-4102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-4102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-4102
  • 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 Y206-4102 available by request