F255-0679 Screening compound: N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

F255-0679 Screening compound: N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide
F255-0679 Screening compound: N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F255-0679
N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

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

F255-0679

Molecular Formula

C29H30N4O3 (C29 H30 N4 O3)

Compound Name

N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

IUPAC name

N-{4-[2-(5-methyl-1H-13-benzodiazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)butanamide

SMILES

Cc(cc1)cc2c1[nH]c(CCc(cc1)ccc1NC(CCCN1c(cc(C)cc3)c3OCC1=O)=O)n2

InChI

InChI=1S/C29H30N4O3/c1-19-5-12-23-24(16-19)32-27(31-23)14-9-21-7-10-22(11-8-21)30-28(34)4-3-15-33-25-17-20(2)6-13-26(25)36-18-29(33)35/h5-8,10-13,16-17H,3-4,9,14-15,18H2,1-2H3,(H,30,34)(H,31,32)

InChI Key

QMRCXOWUYIYMOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27109760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.34

Polar Surface Area

67.206

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

F255-0679 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F255-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F255-0679?
Check Price and Availability of F255-0679, 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 F255-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F255-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F255-0679
  • 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 F255-0679 available by request