7647-0344 Screening compound: 3,5-dimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide

7647-0344 Screening compound: 3,5-dimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide
7647-0344 Screening compound: 3,5-dimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7647-0344
3,5-dimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]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

7647-0344

Molecular Formula

C23H18N2O5 (C23 H18 N2 O5)

Compound Name

3,5-dimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide

IUPAC name

35-dimethoxy-N-[4-(4-oxo-4H-31-benzoxazin-2-yl)phenyl]benzamide

SMILES

COc1cc(C(Nc(cc2)ccc2C(O2)=Nc(cccc3)c3C2=O)=O)cc(OC)c1

InChI

InChI=1S/C23H18N2O5/c1-28-17-11-15(12-18(13-17)29-2)21(26)24-16-9-7-14(8-10-16)22-25-20-6-4-3-5-19(20)23(27)30-22/h3-13H,1-2H3,(H,24,26)

InChI Key

FSUYHYPAPJUYJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.13

Polar Surface Area

68.364

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

7647-0344 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7647-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7647-0344?
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What is the minimum amount of 7647-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7647-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7647-0344
  • 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 7647-0344 available by request