3952-1647 Screening compound: 3,4,5-trimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide

3952-1647 Screening compound: 3,4,5-trimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide
3952-1647 Screening compound: 3,4,5-trimethoxy-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-1647
3,4,5-trimethoxy-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

3952-1647

Molecular Formula

C24H20N2O6 (C24 H20 N2 O6)

Compound Name

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

IUPAC name

345-trimethoxy-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)c1OC

InChI

InChI=1S/C24H20N2O6/c1-29-19-12-15(13-20(30-2)21(19)31-3)22(27)25-16-10-8-14(9-11-16)23-26-18-7-5-4-6-17(18)24(28)32-23/h4-13H,1-3H3,(H,25,27)

InChI Key

WBRZJIURLLOBGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-4.04

Polar Surface Area

76.255

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3952-1647 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 3952-1647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-1647?
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What is the minimum amount of 3952-1647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-1647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-1647
  • 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 3952-1647 available by request