6021-2654 Screening compound: N-{2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-yl}-2-nitro-4-(trifluoromethyl)aniline

6021-2654 Screening compound: N-{2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-yl}-2-nitro-4-(trifluoromethyl)aniline
6021-2654 Screening compound: N-{2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-yl}-2-nitro-4-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6021-2654
N-{2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-yl}-2-nitro-4-(trifluoromethyl)aniline

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

6021-2654

Molecular Formula

C14H15F3N4O4 (C14 H15 F3 N4 O4)

Compound Name

N-{2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-yl}-2-nitro-4-(trifluoromethyl)aniline

IUPAC name

N-{2-methyl-1-[(4-methyl-125-oxadiazol-3-yl)oxy]propan-2-yl}-2-nitro-4-(trifluoromethyl)aniline

SMILES

CC(C)(COc1nonc1C)Nc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C14H15F3N4O4/c1-8-12(20-25-19-8)24-7-13(2,3)18-10-5-4-9(14(15,16)17)6-11(10)21(22)23/h4-6,18H,7H2,1-3H3

InChI Key

CBRGCPRORDALEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03694487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.40

Polar Surface Area

86.598

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 6021-2654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6021-2654?
Check Price and Availability of 6021-2654, 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 6021-2654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6021-2654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6021-2654
  • 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 6021-2654 available by request