2036-1127 Screening compound: 5-nitro-2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

2036-1127 Screening compound: 5-nitro-2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
2036-1127 Screening compound: 5-nitro-2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-1127
5-nitro-2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

2036-1127

Molecular Formula

C24H10F4N4O9 (C24 H10 F4 N4 O9)

Compound Name

5-nitro-2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-nitro-2-[3-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-(1122-tetrafluoroethoxy)phenyl]-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)cc(C(N2c(cc3)cc(N(C(c(cc4)c5cc4[N+]([O-])=O)=O)C5=O)c3OC(C(F)F)(F)F)=O)c1C2=O)=O

InChI

InChI=1S/C24H10F4N4O9/c25-23(26)24(27,28)41-18-6-3-10(29-19(33)13-4-1-11(31(37)38)7-15(13)21(29)35)9-17(18)30-20(34)14-5-2-12(32(39)40)8-16(14)22(30)36/h1-9,23H

InChI Key

NREKBJQZTPVPBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.36

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.55

Polar Surface Area

130.092

Acid Dissociation Constant (pKa)

24.53

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 2036-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-1127?
Check Price and Availability of 2036-1127, 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 2036-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-1127
  • 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 2036-1127 available by request