3737-1054 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide

3737-1054 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
3737-1054 Screening compound: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3737-1054
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide

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

3737-1054

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide

IUPAC name

N-[5-(57-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide

SMILES

CCOc1cccc(C(Nc2c(C)ccc(-c3nc(cc(C)cc4C)c4o3)c2)=O)c1

InChI

InChI=1S/C25H24N2O3/c1-5-29-20-8-6-7-18(13-20)24(28)26-21-14-19(10-9-16(21)3)25-27-22-12-15(2)11-17(4)23(22)30-25/h6-14H,5H2,1-4H3,(H,26,28)

InChI Key

NIWVTHLGKDJUTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.916

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-5.44

Polar Surface Area

46.799

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3737-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3737-1054?
Check Price and Availability of 3737-1054, 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 3737-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3737-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3737-1054
  • 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 3737-1054 available by request