K788-5731 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

K788-5731 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
K788-5731 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5731
N-{2-[benzyl(methyl)amino]ethyl}-4-{[(2E)-4-[(4-methylphenyl)methyl]-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

K788-5731

Molecular Formula

C34H33N3O3 (C34 H33 N3 O3)

Compound Name

N-{2-[benzyl(methyl)amino]ethyl}-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-{2-[benzyl(methyl)amino]ethyl}-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

Cc1ccc(CN(c(cccc2)c2O/C2=C/c(cc3)ccc3C(NCCN(C)Cc3ccccc3)=O)C2=O)cc1

InChI

InChI=1S/C34H33N3O3/c1-25-12-14-28(15-13-25)24-37-30-10-6-7-11-31(30)40-32(34(37)39)22-26-16-18-29(19-17-26)33(38)35-20-21-36(2)23-27-8-4-3-5-9-27/h3-19,22H,20-21,23-24H2,1-2H3,(H,35,38)

InChI Key

IQEUMANJVAMWKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.640

Distribution Coefficient, logD

5.433

Water Solubility, LogSw

-5.52

Polar Surface Area

51.382

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K788-5731 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K788-5731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5731?
Check Price and Availability of K788-5731, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K788-5731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5731
  • 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 K788-5731 available by request