3291-1869 Screening compound: 1-(5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol

3291-1869 Screening compound: 1-(5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol
3291-1869 Screening compound: 1-(5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3291-1869
1-(5-nitro-1H-1,3-benzodiazol-2-yl)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

3291-1869

Molecular Formula

C9H9N3O3 (C9 H9 N3 O3)

Compound Name

1-(5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol

IUPAC name

1-(5-nitro-1H-13-benzodiazol-2-yl)ethan-1-ol

SMILES

CC(c1nc(cc(cc2)[N+]([O-])=O)c2[nH]1)O

InChI

InChI=1S/C9H9N3O3/c1-5(13)9-10-7-3-2-6(12(14)15)4-8(7)11-9/h2-5,13H,1H3,(H,10,11)/t5-/m0/s1

InChI Key

IVFGODDNHJTTBF-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD02031502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.150

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-2.08

Polar Surface Area

68.922

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

3291-1869 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3291-1869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3291-1869?
Check Price and Availability of 3291-1869, 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 3291-1869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3291-1869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3291-1869
  • 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 3291-1869 available by request