1885-0351 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

1885-0351 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
1885-0351 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1885-0351
2-(3-nitrophenyl)-2-oxoethyl 2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-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

1885-0351

Molecular Formula

C23H20N2O7 (C23 H20 N2 O7)

Compound Name

2-(3-nitrophenyl)-2-oxoethyl 2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

2-(3-nitrophenyl)-2-oxoethyl 2-cyclohexyl-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

[O-][N+](c1cc(C(COC(c(cc2)cc(C(N3C4CCCCC4)=O)c2C3=O)=O)=O)ccc1)=O

InChI

InChI=1S/C23H20N2O7/c26-20(14-5-4-8-17(11-14)25(30)31)13-32-23(29)15-9-10-18-19(12-15)22(28)24(21(18)27)16-6-2-1-3-7-16/h4-5,8-12,16H,1-3,6-7,13H2

InChI Key

YQMXTKIPEXKCSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.42

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.96

Polar Surface Area

96.199

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 1885-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1885-0351?
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What is the minimum amount of 1885-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1885-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1885-0351
  • 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 1885-0351 available by request