0167-0015 Screening compound: 2-[(3-methyl-4-nitrophenoxy)methyl]oxirane

0167-0015 Screening compound: 2-[(3-methyl-4-nitrophenoxy)methyl]oxirane
0167-0015 Screening compound: 2-[(3-methyl-4-nitrophenoxy)methyl]oxirane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0015
2-[(3-methyl-4-nitrophenoxy)methyl]oxirane

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

0167-0015

Molecular Formula

C10H11NO4 (C10 H11 NO4)

Compound Name

2-[(3-methyl-4-nitrophenoxy)methyl]oxirane

IUPAC name

2-[(3-methyl-4-nitrophenoxy)methyl]oxirane

SMILES

Cc(cc(cc1)OCC2OC2)c1[N+]([O-])=O

InChI

InChI=1S/C10H11NO4/c1-7-4-8(14-5-9-6-15-9)2-3-10(7)11(12)13/h2-4,9H,5-6H2,1H3/t9-/m0/s1

InChI Key

KPSRPFWGKNZDPP-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00454174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.44

Polar Surface Area

49.664

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

0167-0015 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0167-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0015?
Check Price and Availability of 0167-0015, 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 0167-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0015
  • 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 0167-0015 available by request