3737-0998 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide

3737-0998 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
3737-0998 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3737-0998
N-[5-(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

3737-0998

Molecular Formula

C23H20N2O3 (C23 H20 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(C(Nc2c(C)ccc(-c3nc(cccc4)c4o3)c2)=O)c1

InChI

InChI=1S/C23H20N2O3/c1-3-27-18-8-6-7-16(13-18)22(26)24-20-14-17(12-11-15(20)2)23-25-19-9-4-5-10-21(19)28-23/h4-14H,3H2,1-2H3,(H,24,26)

InChI Key

ICYREFGUQXKMDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

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

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-4.95

Polar Surface Area

46.566

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3737-0998 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3737-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3737-0998?
Check Price and Availability of 3737-0998, 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 3737-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3737-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3737-0998
  • 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 3737-0998 available by request