5074-0122 Screening compound: 2-(4-bromophenyl)-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyrazine-1,4-diium-1,4-bis(olate)

5074-0122 Screening compound: 2-(4-bromophenyl)-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyrazine-1,4-diium-1,4-bis(olate)
5074-0122 Screening compound: 2-(4-bromophenyl)-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyrazine-1,4-diium-1,4-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 5074-0122
2-(4-bromophenyl)-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyrazine-1,4-diium-1,4-bis(olate)

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

5074-0122

Molecular Formula

C16H17BrN2O2 (C16 H17 BrN2 O2)

Compound Name

2-(4-bromophenyl)-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyrazine-1,4-diium-1,4-bis(olate)

IUPAC name

2-(4-bromophenyl)-3-methyl-5H6H7H8H9H-cyclohepta[b]pyrazine-14-diium-14-bis(olate)

SMILES

Cc(c(-c(cc1)ccc1Br)[n+](c1c2CCCCC1)[O-])[n+]2[O-]

InChI

InChI=1S/C16H17BrN2O2/c1-11-16(12-7-9-13(17)10-8-12)19(21)15-6-4-2-3-5-14(15)18(11)20/h7-10H,2-6H2,1H3

InChI Key

DWYBPGYHKQFRFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.12

Polar Surface Area

35.298

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5074-0122 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5074-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5074-0122?
Check Price and Availability of 5074-0122, 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 5074-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5074-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5074-0122
  • 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 5074-0122 available by request