K806-0096 Screening compound: 4-methyl-N-{4-[5-(4-methylbenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide

K806-0096 Screening compound: 4-methyl-N-{4-[5-(4-methylbenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide
K806-0096 Screening compound: 4-methyl-N-{4-[5-(4-methylbenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K806-0096
4-methyl-N-{4-[5-(4-methylbenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide

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

K806-0096

Molecular Formula

C29H23N3O3 (C29 H23 N3 O3)

Compound Name

4-methyl-N-{4-[5-(4-methylbenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide

IUPAC name

4-methyl-N-{4-[5-(4-methylbenzamido)-13-benzoxazol-2-yl]phenyl}benzamide

SMILES

Cc(cc1)ccc1C(Nc(cc1)ccc1-c1nc(cc(cc2)NC(c3ccc(C)cc3)=O)c2o1)=O

InChI

InChI=1S/C29H23N3O3/c1-18-3-7-20(8-4-18)27(33)30-23-13-11-22(12-14-23)29-32-25-17-24(15-16-26(25)35-29)31-28(34)21-9-5-19(2)6-10-21/h3-17H,1-2H3,(H,30,33)(H,31,34)

InChI Key

AVAKVPKGEKMOKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02856431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

6.223

Water Solubility, LogSw

-5.46

Polar Surface Area

63.231

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

K806-0096 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K806-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K806-0096?
Check Price and Availability of K806-0096, 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 K806-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K806-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K806-0096
  • 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 K806-0096 available by request