Y044-1723 Screening compound: 4-{[1-(4-bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}tetrahydro-2(1H)-pyrazinone

Y044-1723 Screening compound: 4-{[1-(4-bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}tetrahydro-2(1H)-pyrazinone
Y044-1723 Screening compound: 4-{[1-(4-bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-1723
4-{[1-(4-bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}tetrahydro-2(1H)-pyrazinone

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

Y044-1723

Molecular Formula

C18H16BrN5O2 (C18 H16 BrN5 O2)

Compound Name

4-{[1-(4-bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}tetrahydro-2(1H)-pyrazinone

IUPAC name

4-[1-(4-bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazin-2-one

SMILES

O=C(c1c(-n2cccc2)n(-c(cc2)ccc2Br)nc1)N(CCN1)CC1=O

InChI

InChI=1S/C18H16BrN5O2/c19-13-3-5-14(6-4-13)24-17(22-8-1-2-9-22)15(11-21-24)18(26)23-10-7-20-16(25)12-23/h1-6,8-9,11H,7,10,12H2,(H,20,25)

InChI Key

AOGOWGQWZXXFRJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-2.82

Polar Surface Area

58.700

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with Y044-1723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-1723?
Check Price and Availability of Y044-1723, 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 Y044-1723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-1723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-1723
  • 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 Y044-1723 available by request