7563-5002 Screening compound: N-[2-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]acetamide

7563-5002 Screening compound: N-[2-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]acetamide
7563-5002 Screening compound: N-[2-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7563-5002
N-[2-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]acetamide

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

7563-5002

Molecular Formula

C12H14N4O3 (C12 H14 N4 O3)

Compound Name

N-[2-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]acetamide

IUPAC name

N-[2-(1-methyl-5-nitro-1H-13-benzodiazol-2-yl)ethyl]acetamide

SMILES

CC(NCCc1nc(cc(cc2)[N+]([O-])=O)c2n1C)=O

InChI

InChI=1S/C12H14N4O3/c1-8(17)13-6-5-12-14-10-7-9(16(18)19)3-4-11(10)15(12)2/h3-4,7H,5-6H2,1-2H3,(H,13,17)

InChI Key

JQMGZLGOGZRJNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06005444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.684

Distribution Coefficient, logD

0.683

Water Solubility, LogSw

-2.20

Polar Surface Area

70.032

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 7563-5002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7563-5002?
Check Price and Availability of 7563-5002, 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 7563-5002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7563-5002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7563-5002
  • 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 7563-5002 available by request