D516-0353 Screening compound: 2-fluoro-N-[2-(1-methyl-5-propanamido-1H-1,3-benzodiazol-2-yl)ethyl]benzamide

D516-0353 Screening compound: 2-fluoro-N-[2-(1-methyl-5-propanamido-1H-1,3-benzodiazol-2-yl)ethyl]benzamide
D516-0353 Screening compound: 2-fluoro-N-[2-(1-methyl-5-propanamido-1H-1,3-benzodiazol-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0353
2-fluoro-N-[2-(1-methyl-5-propanamido-1H-1,3-benzodiazol-2-yl)ethyl]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

D516-0353

Molecular Formula

C20H21FN4O2 (C20 H21 FN4 O2)

Compound Name

2-fluoro-N-[2-(1-methyl-5-propanamido-1H-1,3-benzodiazol-2-yl)ethyl]benzamide

IUPAC name

2-fluoro-N-[2-(1-methyl-5-propanamido-1H-13-benzodiazol-2-yl)ethyl]benzamide

SMILES

CCC(Nc(cc1)cc2c1n(C)c(CCNC(c(cccc1)c1F)=O)n2)=O

InChI

InChI=1S/C20H21FN4O2/c1-3-19(26)23-13-8-9-17-16(12-13)24-18(25(17)2)10-11-22-20(27)14-6-4-5-7-15(14)21/h4-9,12H,3,10-11H2,1-2H3,(H,22,27)(H,23,26)

InChI Key

IRVGJYIZBHKAAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.30

Polar Surface Area

59.629

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D516-0353 in Drug Discovery

Included in Screening Libraries

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 D516-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0353?
Check Price and Availability of D516-0353, 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 D516-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0353
  • 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 D516-0353 available by request