5254-2312 Screening compound: 5-methoxy-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one

5254-2312 Screening compound: 5-methoxy-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
5254-2312 Screening compound: 5-methoxy-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5254-2312
5-methoxy-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-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

5254-2312

Molecular Formula

C10H11N3O4 (C10 H11 N3 O4)

Compound Name

5-methoxy-1,3-dimethyl-6-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-methoxy-13-dimethyl-6-nitro-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(c(N1C)c2)cc([N+]([O-])=O)c2OC)C1=O

InChI

InChI=1S/C10H11N3O4/c1-11-6-4-8(13(15)16)9(17-3)5-7(6)12(2)10(11)14/h4-5H,1-3H3

InChI Key

KWRYGPCQCPMEFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-1.75

Polar Surface Area

58.634

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 5254-2312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5254-2312?
Check Price and Availability of 5254-2312, 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 5254-2312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5254-2312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5254-2312
  • 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 5254-2312 available by request