C599-0597 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-nitrophenoxy)-N-(propan-2-yl)acetamide

C599-0597 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-nitrophenoxy)-N-(propan-2-yl)acetamide
C599-0597 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-nitrophenoxy)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0597
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-nitrophenoxy)-N-(propan-2-yl)acetamide

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

C599-0597

Molecular Formula

C21H22N4O5 (C21 H22 N4 O5)

Compound Name

N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-nitrophenoxy)-N-(propan-2-yl)acetamide

IUPAC name

N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-2-(4-nitrophenoxy)-N-(propan-2-yl)acetamide

SMILES

CC(C)N(Cc1nc(-c2cc(C)ccc2)no1)C(COc(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C21H22N4O5/c1-14(2)24(20(26)13-29-18-9-7-17(8-10-18)25(27)28)12-19-22-21(23-30-19)16-6-4-5-15(3)11-16/h4-11,14H,12-13H2,1-3H3

InChI Key

IYJZNXVTSNZESD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.46

Polar Surface Area

87.889

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C599-0597 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C599-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0597?
Check Price and Availability of C599-0597, 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 C599-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0597
  • 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 C599-0597 available by request