0635-0075 Screening compound: 1-methyl-3-[2-(methylamino)-5-nitrophenyl]-6-nitro-1,2-dihydroquinoxalin-2-one

0635-0075 Screening compound: 1-methyl-3-[2-(methylamino)-5-nitrophenyl]-6-nitro-1,2-dihydroquinoxalin-2-one
0635-0075 Screening compound: 1-methyl-3-[2-(methylamino)-5-nitrophenyl]-6-nitro-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0635-0075
1-methyl-3-[2-(methylamino)-5-nitrophenyl]-6-nitro-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

0635-0075

Molecular Formula

C16H13N5O5 (C16 H13 N5 O5)

Compound Name

1-methyl-3-[2-(methylamino)-5-nitrophenyl]-6-nitro-1,2-dihydroquinoxalin-2-one

IUPAC name

1-methyl-3-[2-(methylamino)-5-nitrophenyl]-6-nitro-12-dihydroquinoxalin-2-one

SMILES

CNc(ccc([N+]([O-])=O)c1)c1C1=Nc(cc(cc2)[N+]([O-])=O)c2N(C)C1=O

InChI

InChI=1S/C16H13N5O5/c1-17-12-5-3-9(20(23)24)7-11(12)15-16(22)19(2)14-6-4-10(21(25)26)8-13(14)18-15/h3-8,17H,1-2H3

InChI Key

ISXFUQROQLKDHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.733

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-2.53

Polar Surface Area

99.937

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0635-0075 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0635-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0635-0075?
Check Price and Availability of 0635-0075, 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 0635-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0635-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0635-0075
  • 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 0635-0075 available by request