3729-2987 Screening compound: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

3729-2987 Screening compound: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
3729-2987 Screening compound: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2987
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

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

3729-2987

Molecular Formula

C17H16N2O2 (C17 H16 N2 O2)

Compound Name

N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

IUPAC name

N-[2-methyl-3-(5-methyl-13-benzoxazol-2-yl)phenyl]acetamide

SMILES

CC(Nc1c(C)c(-c2nc(cc(C)cc3)c3o2)ccc1)=O

InChI

InChI=1S/C17H16N2O2/c1-10-7-8-16-15(9-10)19-17(21-16)13-5-4-6-14(11(13)2)18-12(3)20/h4-9H,1-3H3,(H,18,20)

InChI Key

NQRJCSZXOUJVIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00641764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.40

Polar Surface Area

39.613

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3729-2987 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 3729-2987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2987?
Check Price and Availability of 3729-2987, 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 3729-2987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2987
  • 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 3729-2987 available by request