D516-0354 Screening compound: N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-fluorobenzamide

D516-0354 Screening compound: N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-fluorobenzamide
D516-0354 Screening compound: N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0354
N-[2-(5-butanamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-fluorobenzamide

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

D516-0354

Molecular Formula

C21H23FN4O2 (C21 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H23FN4O2/c1-3-6-20(27)24-14-9-10-18-17(13-14)25-19(26(18)2)11-12-23-21(28)15-7-4-5-8-16(15)22/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,23,28)(H,24,27)

InChI Key

ALHRAIJWFQFYOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.60

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

28.60

D516-0354 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D516-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0354?
Check Price and Availability of D516-0354, 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 D516-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0354
  • 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 D516-0354 available by request