3729-3013 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

3729-3013 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
3729-3013 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3013
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

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

3729-3013

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

IUPAC name

N-[3-(56-dimethyl-13-benzoxazol-2-yl)phenyl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc1cc(-c2nc(cc(C)c(C)c3)c3o2)ccc1)=O

InChI

InChI=1S/C23H20N2O2/c1-14-7-9-17(10-8-14)22(26)24-19-6-4-5-18(13-19)23-25-20-11-15(2)16(3)12-21(20)27-23/h4-13H,1-3H3,(H,24,26)

InChI Key

QZBWICJWJOHWNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01144367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.982

Distribution Coefficient, logD

5.982

Water Solubility, LogSw

-5.53

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 3729-3013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3013?
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What is the minimum amount of 3729-3013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3013
  • 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 3729-3013 available by request