D305-2939 Screening compound: ethyl 4-{[5-nitro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate

D305-2939 Screening compound: ethyl 4-{[5-nitro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate
D305-2939 Screening compound: ethyl 4-{[5-nitro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-2939
ethyl 4-{[5-nitro-1-(propan-2-yl)-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

D305-2939

Molecular Formula

C18H25N5O4 (C18 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H25N5O4/c1-4-27-18(24)21-9-7-20(8-10-21)12-17-19-15-11-14(23(25)26)5-6-16(15)22(17)13(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3

InChI Key

FGZIYCXABMHDIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-2.94

Polar Surface Area

72.384

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with D305-2939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-2939?
Check Price and Availability of D305-2939, 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 D305-2939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-2939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-2939
  • 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 D305-2939 available by request