K806-0049 Screening compound: 2-chloro-N-{2-[4-(2-chloro-4-nitrobenzamido)phenyl]-1,3-benzoxazol-5-yl}-4-nitrobenzamide

K806-0049 Screening compound: 2-chloro-N-{2-[4-(2-chloro-4-nitrobenzamido)phenyl]-1,3-benzoxazol-5-yl}-4-nitrobenzamide
K806-0049 Screening compound: 2-chloro-N-{2-[4-(2-chloro-4-nitrobenzamido)phenyl]-1,3-benzoxazol-5-yl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K806-0049
2-chloro-N-{2-[4-(2-chloro-4-nitrobenzamido)phenyl]-1,3-benzoxazol-5-yl}-4-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

K806-0049

Molecular Formula

C27H15Cl2N5O7 (C27 H15 Cl2 N5 O7)

Compound Name

2-chloro-N-{2-[4-(2-chloro-4-nitrobenzamido)phenyl]-1,3-benzoxazol-5-yl}-4-nitrobenzamide

IUPAC name

2-chloro-N-{2-[4-(2-chloro-4-nitrobenzamido)phenyl]-13-benzoxazol-5-yl}-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(Cl)c1C(Nc(cc1)ccc1-c1nc(cc(cc2)NC(c(ccc([N+]([O-])=O)c3)c3Cl)=O)c2o1)=O)=O

InChI

InChI=1S/C27H15Cl2N5O7/c28-21-12-17(33(37)38)6-8-19(21)25(35)30-15-3-1-14(2-4-15)27-32-23-11-16(5-10-24(23)41-27)31-26(36)20-9-7-18(34(39)40)13-22(20)29/h1-13H,(H,30,35)(H,31,36)

InChI Key

ZOZACDXAIVWUOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.35

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.329

Distribution Coefficient, logD

6.314

Water Solubility, LogSw

-6.49

Polar Surface Area

129.994

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K806-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K806-0049?
Check Price and Availability of K806-0049, 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 K806-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K806-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K806-0049
  • 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 K806-0049 available by request