D516-0208 Screening compound: 2-ethyl-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide

D516-0208 Screening compound: 2-ethyl-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide
D516-0208 Screening compound: 2-ethyl-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0208
2-ethyl-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)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

D516-0208

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

2-ethyl-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide

IUPAC name

2-ethyl-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-13-benzodiazol-2-yl}ethyl)butanamide

SMILES

CCC(CC)C(NCCc1nc(cc(cc2)NC(COc3c(C)cccc3)=O)c2n1C)=O

InChI

InChI=1S/C25H32N4O3/c1-5-18(6-2)25(31)26-14-13-23-28-20-15-19(11-12-21(20)29(23)4)27-24(30)16-32-22-10-8-7-9-17(22)3/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,26,31)(H,27,30)

InChI Key

UMTTUDYTMFMDKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.31

Polar Surface Area

67.215

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D516-0208 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D516-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0208?
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What is the minimum amount of D516-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0208
  • 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 D516-0208 available by request