8011-5354 Screening compound: 1,1-dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate

8011-5354 Screening compound: 1,1-dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
8011-5354 Screening compound: 1,1-dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5354
1,1-dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate

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

8011-5354

Molecular Formula

C22H21NO7 (C22 H21 NO7)

Compound Name

1,1-dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate

IUPAC name

11-dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-11-dicarboxylate

SMILES

CCC(C1c(cc2)ccc2[N+]([O-])=O)(C1(C(OC)=O)C(OC)=O)C(c1ccccc1)=O

InChI

InChI=1S/C22H21NO7/c1-4-21(18(24)15-8-6-5-7-9-15)17(14-10-12-16(13-11-14)23(27)28)22(21,19(25)29-2)20(26)30-3/h5-13,17H,4H2,1-3H3

InChI Key

IZPUYYLMWMIFCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.33

Polar Surface Area

89.686

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

8011-5354 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 8011-5354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5354?
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What is the minimum amount of 8011-5354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5354
  • 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 8011-5354 available by request