4528-1518 Screening compound: 3,4-dimethyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide

4528-1518 Screening compound: 3,4-dimethyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
4528-1518 Screening compound: 3,4-dimethyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4528-1518
3,4-dimethyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]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

4528-1518

Molecular Formula

C21H17N3O2 (C21 H17 N3 O2)

Compound Name

3,4-dimethyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

34-dimethyl-N-[2-(pyridin-3-yl)-13-benzoxazol-5-yl]benzamide

SMILES

Cc(cc1)c(C)cc1C(Nc(cc1)cc2c1oc(-c1cnccc1)n2)=O

InChI

InChI=1S/C21H17N3O2/c1-13-5-6-15(10-14(13)2)20(25)23-17-7-8-19-18(11-17)24-21(26-19)16-4-3-9-22-12-16/h3-12H,1-2H3,(H,23,25)

InChI Key

SHXHHAGPUPNWHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02988208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-3.97

Polar Surface Area

49.658

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4528-1518 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4528-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4528-1518?
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What is the minimum amount of 4528-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4528-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4528-1518
  • 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 4528-1518 available by request