C226-3766 Screening compound: N-benzyl-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C226-3766 Screening compound: N-benzyl-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
C226-3766 Screening compound: N-benzyl-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3766
N-benzyl-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

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

C226-3766

Molecular Formula

C20H26N2O2 (C20 H26 N2 O2)

Compound Name

N-benzyl-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

IUPAC name

N-benzyl-5-tert-butyl-N-methyl-4567-tetrahydro-12-benzoxazole-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1onc2C(N(C)Cc1ccccc1)=O

InChI

InChI=1S/C20H26N2O2/c1-20(2,3)15-10-11-17-16(12-15)18(21-24-17)19(23)22(4)13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-/m1/s1

InChI Key

IMRGPXXGIQTXBB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14733399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.35

Polar Surface Area

38.789

Acid Dissociation Constant (pKa)

20.31

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C226-3766 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C226-3766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3766?
Check Price and Availability of C226-3766, 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 C226-3766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3766
  • 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 C226-3766 available by request