8003-8065 Screening compound: 3-[(2,4,6-trinitrophenyl)amino]propan-1-ol

8003-8065 Screening compound: 3-[(2,4,6-trinitrophenyl)amino]propan-1-ol
8003-8065 Screening compound: 3-[(2,4,6-trinitrophenyl)amino]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8065
3-[(2,4,6-trinitrophenyl)amino]propan-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

8003-8065

Molecular Formula

C9H10N4O7 (C9 H10 N4 O7)

Compound Name

3-[(2,4,6-trinitrophenyl)amino]propan-1-ol

IUPAC name

3-[(246-trinitrophenyl)amino]propan-1-ol

SMILES

[O-][N+](c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1NCCCO)=O

InChI

InChI=1S/C9H10N4O7/c14-3-1-2-10-9-7(12(17)18)4-6(11(15)16)5-8(9)13(19)20/h4-5,10,14H,1-3H2

InChI Key

ZUVFHHLTKJJUKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00507393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.2

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.726

Distribution Coefficient, logD

0.726

Water Solubility, LogSw

-1.83

Polar Surface Area

125.389

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8003-8065 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-8065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8065?
Check Price and Availability of 8003-8065, 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 8003-8065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8065
  • 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 8003-8065 available by request