4402-0893 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide

4402-0893 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide
4402-0893 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4402-0893
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide

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

4402-0893

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide

IUPAC name

N-[4-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)ccc1-c1nc(cc(C)cc2C)c2o1)=O

InChI

InChI=1S/C20H22N2O2/c1-12(2)9-18(23)21-16-7-5-15(6-8-16)20-22-17-11-13(3)10-14(4)19(17)24-20/h5-8,10-12H,9H2,1-4H3,(H,21,23)

InChI Key

NWDWSOUXUWDTBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-4.67

Polar Surface Area

40.431

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4402-0893 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4402-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4402-0893?
Check Price and Availability of 4402-0893, 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 4402-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4402-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4402-0893
  • 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 4402-0893 available by request