K629-0118 Screening compound: N~1~-{4-[5-(2-furyl)-1,2,4-oxadiazol-3-yl]phenyl}-4-methyl-3-nitrobenzamide

K629-0118 Screening compound: N~1~-{4-[5-(2-furyl)-1,2,4-oxadiazol-3-yl]phenyl}-4-methyl-3-nitrobenzamide
K629-0118 Screening compound: N~1~-{4-[5-(2-furyl)-1,2,4-oxadiazol-3-yl]phenyl}-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K629-0118
N~1~-{4-[5-(2-furyl)-1,2,4-oxadiazol-3-yl]phenyl}-4-methyl-3-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

K629-0118

Molecular Formula

C20H14N4O5 (C20 H14 N4 O5)

Compound Name

N~1~-{4-[5-(2-furyl)-1,2,4-oxadiazol-3-yl]phenyl}-4-methyl-3-nitrobenzamide

IUPAC name

n/a

SMILES

Cc(ccc(C(Nc(cc1)ccc1-c1noc(-c2ccco2)n1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H14N4O5/c1-12-4-5-14(11-16(12)24(26)27)19(25)21-15-8-6-13(7-9-15)18-22-20(29-23-18)17-3-2-10-28-17/h2-11H,1H3,(H,21,25)

InChI Key

JPRVCOKRUFYEQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.36

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

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.44

Polar Surface Area

96.394

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K629-0118 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K629-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K629-0118?
Check Price and Availability of K629-0118, 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 K629-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K629-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K629-0118
  • 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 K629-0118 available by request