D220-1066 Screening compound: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide

D220-1066 Screening compound: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide
D220-1066 Screening compound: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D220-1066
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide

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

D220-1066

Molecular Formula

C16H12N4O5 (C16 H12 N4 O5)

Compound Name

N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide

IUPAC name

N-[4-(4-methoxyphenyl)-125-oxadiazol-3-yl]-2-nitrobenzamide

SMILES

COc(cc1)ccc1-c1nonc1NC(c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C16H12N4O5/c1-24-11-8-6-10(7-9-11)14-15(19-25-18-14)17-16(21)12-4-2-3-5-13(12)20(22)23/h2-9H,1H3,(H,17,19,21)

InChI Key

SZWIJBCXEISZLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

1.414

Water Solubility, LogSw

-3.94

Polar Surface Area

100.710

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D220-1066 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D220-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D220-1066?
Check Price and Availability of D220-1066, 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 D220-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D220-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D220-1066
  • 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 D220-1066 available by request