8009-8680 Screening compound: 2-(2,4,6-trinitrophenyl)ethan-1-ol

8009-8680 Screening compound: 2-(2,4,6-trinitrophenyl)ethan-1-ol
8009-8680 Screening compound: 2-(2,4,6-trinitrophenyl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8680
2-(2,4,6-trinitrophenyl)ethan-1-ol

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

8009-8680

Molecular Formula

C8H7N3O7 (C8 H7 N3 O7)

Compound Name

2-(2,4,6-trinitrophenyl)ethan-1-ol

IUPAC name

2-(246-trinitrophenyl)ethan-1-ol

SMILES

[O-][N+](c1cc([N+]([O-])=O)c(CCO)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C8H7N3O7/c12-2-1-6-7(10(15)16)3-5(9(13)14)4-8(6)11(17)18/h3-4,12H,1-2H2

InChI Key

KINJAFULVGWMFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.16

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.143

Distribution Coefficient, logD

1.143

Water Solubility, LogSw

-1.64

Polar Surface Area

116.437

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8009-8680 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8009-8680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8680?
Check Price and Availability of 8009-8680, 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 8009-8680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8680
  • 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 8009-8680 available by request