K788-4829 Screening compound: N-(3-methoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

K788-4829 Screening compound: N-(3-methoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
K788-4829 Screening compound: N-(3-methoxypropyl)-4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4829
N-(3-methoxypropyl)-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

K788-4829

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-25-12-4-11-21-19(23)15-9-7-14(8-10-15)13-18-20(24)22-16-5-2-3-6-17(16)26-18/h2-3,5-10,13H,4,11-12H2,1H3,(H,21,23)(H,22,24)

InChI Key

VGOUGUJXDSCFQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.11

Polar Surface Area

65.676

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K788-4829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4829?
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What is the minimum amount of K788-4829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4829
  • 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 K788-4829 available by request