K788-4414 Screening compound: N-(3-ethoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

K788-4414 Screening compound: N-(3-ethoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
K788-4414 Screening compound: N-(3-ethoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4414
N-(3-ethoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}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

K788-4414

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

N-(3-ethoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-(3-ethoxypropyl)-4-{[(2Z)-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

CCOCCCNC(c1ccc(/C=C2\Oc(cccc3)c3NC2=O)cc1)=O

InChI

InChI=1S/C21H22N2O4/c1-2-26-13-5-12-22-20(24)16-10-8-15(9-11-16)14-19-21(25)23-17-6-3-4-7-18(17)27-19/h3-4,6-11,14H,2,5,12-13H2,1H3,(H,22,24)(H,23,25)

InChI Key

QQEFUIBRJCYLKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.44

Polar Surface Area

65.311

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with K788-4414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4414?
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What is the minimum amount of K788-4414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4414
  • 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 K788-4414 available by request