000S-0033 Screening compound: 3-[5-bromo-2-(methylamino)phenyl]-1,2-dihydroquinoxalin-2-one

000S-0033 Screening compound: 3-[5-bromo-2-(methylamino)phenyl]-1,2-dihydroquinoxalin-2-one
000S-0033 Screening compound: 3-[5-bromo-2-(methylamino)phenyl]-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 000S-0033
3-[5-bromo-2-(methylamino)phenyl]-1,2-dihydroquinoxalin-2-one

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

000S-0033

Molecular Formula

C15H12BrN3O (C15 H12 BrN3 O)

Compound Name

3-[5-bromo-2-(methylamino)phenyl]-1,2-dihydroquinoxalin-2-one

IUPAC name

3-[5-bromo-2-(methylamino)phenyl]-12-dihydroquinoxalin-2-one

SMILES

CNc(ccc(Br)c1)c1C1=Nc(cccc2)c2NC1=O

InChI

InChI=1S/C15H12BrN3O/c1-17-11-7-6-9(16)8-10(11)14-15(20)19-13-5-3-2-4-12(13)18-14/h2-8,17H,1H3,(H,19,20)

InChI Key

XOAOTXDLRFZSJY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.66

Polar Surface Area

42.912

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

000S-0033 in Drug Discovery

Included in Screening Libraries

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 000S-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000S-0033?
Check Price and Availability of 000S-0033, 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 000S-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000S-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000S-0033
  • 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 000S-0033 available by request