8003-8694 Screening compound: 1,2-bis(4-nitrophenyl)-1-ethanol

8003-8694 Screening compound: 1,2-bis(4-nitrophenyl)-1-ethanol
8003-8694 Screening compound: 1,2-bis(4-nitrophenyl)-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8694
1,2-bis(4-nitrophenyl)-1-ethanol

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

8003-8694

Molecular Formula

C14H12N2O5 (C14 H12 N2 O5)

Compound Name

1,2-bis(4-nitrophenyl)-1-ethanol

IUPAC name

n/a

SMILES

[O-][N+](c1ccc(CC(c(cc2)ccc2[N+]([O-])=O)O)cc1)=O

InChI

InChI=1S/C14H12N2O5/c17-14(11-3-7-13(8-4-11)16(20)21)9-10-1-5-12(6-2-10)15(18)19/h1-8,14,17H,9H2/t14-/m0/s1

InChI Key

CCVTWTQXQQSPCD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00470592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.17

Polar Surface Area

82.882

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

8003-8694 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8003-8694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8694?
Check Price and Availability of 8003-8694, 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 8003-8694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8694
  • 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 8003-8694 available by request