D516-0286 Screening compound: N-[2-(1-methyl-5-pentanamido-1H-1,3-benzodiazol-2-yl)ethyl]cyclopropanecarboxamide

D516-0286 Screening compound: N-[2-(1-methyl-5-pentanamido-1H-1,3-benzodiazol-2-yl)ethyl]cyclopropanecarboxamide
D516-0286 Screening compound: N-[2-(1-methyl-5-pentanamido-1H-1,3-benzodiazol-2-yl)ethyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0286
N-[2-(1-methyl-5-pentanamido-1H-1,3-benzodiazol-2-yl)ethyl]cyclopropanecarboxamide

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

D516-0286

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

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

IUPAC name

N-[2-(1-methyl-5-pentanamido-1H-13-benzodiazol-2-yl)ethyl]cyclopropanecarboxamide

SMILES

CCCCC(Nc(cc1)cc2c1n(C)c(CCNC(C1CC1)=O)n2)=O

InChI

InChI=1S/C19H26N4O2/c1-3-4-5-18(24)21-14-8-9-16-15(12-14)22-17(23(16)2)10-11-20-19(25)13-6-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,25)(H,21,24)

InChI Key

PPZSSTOBMMBWBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-3.10

Polar Surface Area

60.152

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

D516-0286 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D516-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0286?
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What is the minimum amount of D516-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0286
  • 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 D516-0286 available by request