0781-2849 Screening compound: 1,3-diethyl 2-({[3-ethoxy-2-(ethoxycarbonyl)-2-nitro-3-oxopropyl](nitro)amino}methyl)-2-nitropropanedioate

0781-2849 Screening compound: 1,3-diethyl 2-({[3-ethoxy-2-(ethoxycarbonyl)-2-nitro-3-oxopropyl](nitro)amino}methyl)-2-nitropropanedioate
0781-2849 Screening compound: 1,3-diethyl 2-({[3-ethoxy-2-(ethoxycarbonyl)-2-nitro-3-oxopropyl](nitro)amino}methyl)-2-nitropropanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2849
1,3-diethyl 2-({[3-ethoxy-2-(ethoxycarbonyl)-2-nitro-3-oxopropyl](nitro)amino}methyl)-2-nitropropanedioate

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

0781-2849

Molecular Formula

C16H24N4O14 (C16 H24 N4 O14)

Compound Name

1,3-diethyl 2-({[3-ethoxy-2-(ethoxycarbonyl)-2-nitro-3-oxopropyl](nitro)amino}methyl)-2-nitropropanedioate

IUPAC name

13-diethyl 2-({[3-ethoxy-2-(ethoxycarbonyl)-2-nitro-3-oxopropyl](nitro)amino}methyl)-2-nitropropanedioate

SMILES

CCOC(C(CN(CC(C(OCC)=O)(C(OCC)=O)[N+]([O-])=O)[N+]([O-])=O)(C(OCC)=O)[N+]([O-])=O)=O

InChI

InChI=1S/C16H24N4O14/c1-5-31-11(21)15(18(25)26,12(22)32-6-2)9-17(20(29)30)10-16(19(27)28,13(23)33-7-3)14(24)34-8-4/h5-10H2,1-4H3

InChI Key

KZIQJSFZSDQMNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00328600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.39

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-1.12

Polar Surface Area

194.554

Acid Dissociation Constant (pKa)

21.50

Base Dissociation Constant (pKb)

-10.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with 0781-2849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2849?
Check Price and Availability of 0781-2849, 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 0781-2849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2849
  • 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 0781-2849 available by request