D516-0223 Screening compound: N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-methoxybenzamide

D516-0223 Screening compound: N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-methoxybenzamide
D516-0223 Screening compound: N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0223
N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-methoxybenzamide

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

D516-0223

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-methoxybenzamide

IUPAC name

N-[2-(5-butanamido-1-methyl-1H-13-benzodiazol-2-yl)ethyl]-2-methoxybenzamide

SMILES

CCCC(Nc(cc1)cc2c1n(C)c(CCNC(c(cccc1)c1OC)=O)n2)=O

InChI

InChI=1S/C22H26N4O3/c1-4-7-21(27)24-15-10-11-18-17(14-15)25-20(26(18)2)12-13-23-22(28)16-8-5-6-9-19(16)29-3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,23,28)(H,24,27)

InChI Key

VVSOMKVNYVNINA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.59

Polar Surface Area

67.259

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D516-0223 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D516-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0223?
Check Price and Availability of D516-0223, 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 D516-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0223
  • 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 D516-0223 available by request