D516-0207 Screening compound: 2-ethyl-N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide

D516-0207 Screening compound: 2-ethyl-N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide
D516-0207 Screening compound: 2-ethyl-N-{2-[1-methyl-5-(2-phenoxyacetamido)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0207
2-ethyl-N-{2-[1-methyl-5-(2-phenoxyacetamido)-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

D516-0207

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(NCCc1nc(cc(cc2)NC(COc3ccccc3)=O)c2n1C)=O

InChI

InChI=1S/C24H30N4O3/c1-4-17(5-2)24(30)25-14-13-22-27-20-15-18(11-12-21(20)28(22)3)26-23(29)16-31-19-9-7-6-8-10-19/h6-12,15,17H,4-5,13-14,16H2,1-3H3,(H,25,30)(H,26,29)

InChI Key

MZKOETRKIAYREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

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

3.676

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.90

Polar Surface Area

67.128

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D516-0207 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D516-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0207?
Check Price and Availability of D516-0207, 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 D516-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0207
  • 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 D516-0207 available by request