4802-0070 Screening compound: 4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole

4802-0070 Screening compound: 4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole
4802-0070 Screening compound: 4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0070
4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole

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

4802-0070

Molecular Formula

C12H14N2O3 (C12 H14 N2 O3)

Compound Name

4,4-dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole

IUPAC name

44-dimethyl-2-(2-methyl-3-nitrophenyl)-45-dihydro-13-oxazole

SMILES

CC1(C)N=C(c2cccc([N+]([O-])=O)c2C)OC1

InChI

InChI=1S/C12H14N2O3/c1-8-9(5-4-6-10(8)14(15)16)11-13-12(2,3)7-17-11/h4-6H,7H2,1-3H3

InChI Key

JKBQEJQMTASJLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03010731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-2.74

Polar Surface Area

51.195

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

4802-0070 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 4802-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0070?
Check Price and Availability of 4802-0070, 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 4802-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0070
  • 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 4802-0070 available by request