R018-0072 Screening compound: 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethan-1-ol

R018-0072 Screening compound: 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethan-1-ol
R018-0072 Screening compound: 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound R018-0072
2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]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

R018-0072

Molecular Formula

C6H10N4O3 (C6 H10 N4 O3)

Compound Name

2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethan-1-ol

IUPAC name

2-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]ethan-1-ol

SMILES

Cn(cn1)c(NCCO)c1[N+]([O-])=O

InChI

InChI=1S/C6H10N4O3/c1-9-4-8-6(10(12)13)5(9)7-2-3-11/h4,7,11H,2-3H2,1H3

InChI Key

FUGSQQDWPLRWSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00497049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

186.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.469

Distribution Coefficient, logD

-0.469

Water Solubility, LogSw

-1.47

Polar Surface Area

71.751

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

R018-0072 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R018-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R018-0072?
Check Price and Availability of R018-0072, 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 R018-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R018-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R018-0072
  • 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 R018-0072 available by request