D305-2830 Screening compound: ethyl 4-[(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

D305-2830 Screening compound: ethyl 4-[(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate
D305-2830 Screening compound: ethyl 4-[(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2830
ethyl 4-[(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

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

D305-2830

Molecular Formula

C16H21N5O4 (C16 H21 N5 O4)

Compound Name

ethyl 4-[(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(1-methyl-5-nitro-1H-13-benzodiazol-2-yl)methyl]piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(cc(cc3)[N+]([O-])=O)c3n2C)CC1)=O

InChI

InChI=1S/C16H21N5O4/c1-3-25-16(22)20-8-6-19(7-9-20)11-15-17-13-10-12(21(23)24)4-5-14(13)18(15)2/h4-5,10H,3,6-9,11H2,1-2H3

InChI Key

ZOFSYOAOMNFUIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.819

Distribution Coefficient, logD

1.815

Water Solubility, LogSw

-2.32

Polar Surface Area

72.119

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D305-2830 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 D305-2830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2830?
Check Price and Availability of D305-2830, 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 D305-2830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2830
  • 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 D305-2830 available by request