4244-1118 Screening compound: 3-methyl-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide

4244-1118 Screening compound: 3-methyl-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
4244-1118 Screening compound: 3-methyl-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-1118
3-methyl-N-{4-[5-(propan-2-yl)-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

4244-1118

Molecular Formula

C24H22N2O2 (C24 H22 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)ccc1NC(c1cc(C)ccc1)=O)n2

InChI

InChI=1S/C24H22N2O2/c1-15(2)18-9-12-22-21(14-18)26-24(28-22)17-7-10-20(11-8-17)25-23(27)19-6-4-5-16(3)13-19/h4-15H,1-3H3,(H,25,27)

InChI Key

RYNLREFQVNABQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

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

5.991

Distribution Coefficient, logD

5.990

Water Solubility, LogSw

-5.54

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4244-1118 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4244-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-1118?
Check Price and Availability of 4244-1118, 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 4244-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-1118
  • 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 4244-1118 available by request