8020-1778 Screening compound: 4-bromo-5-nitro-1H-imidazole

8020-1778 Screening compound: 4-bromo-5-nitro-1H-imidazole
8020-1778 Screening compound: 4-bromo-5-nitro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1778
4-bromo-5-nitro-1H-imidazole

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

8020-1778

Molecular Formula

C3H2BrN3O2 (C3 H2 BrN3 O2)

Compound Name

4-bromo-5-nitro-1H-imidazole

IUPAC name

4-bromo-5-nitro-1H-imidazole

SMILES

[O-][N+](c([nH]cn1)c1Br)=O

InChI

InChI=1S/C3H2BrN3O2/c4-2-3(7(8)9)6-1-5-2/h1H,(H,5,6)

InChI Key

KSEFBYAEHWXHLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11501602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.835

Distribution Coefficient, logD

0.833

Water Solubility, LogSw

-1.81

Polar Surface Area

55.502

Acid Dissociation Constant (pKa)

6.71

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-1778 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1778?
Check Price and Availability of 8020-1778, 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 8020-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1778
  • 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 8020-1778 available by request