D305-1239 Screening compound: N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

D305-1239 Screening compound: N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide
D305-1239 Screening compound: N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1239
N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

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

D305-1239

Molecular Formula

C20H30N4O (C20 H30 N4 O)

Compound Name

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

IUPAC name

N-{1-ethyl-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}-3-methylbutanamide

SMILES

CCn1c(ccc(NC(CC(C)C)=O)c2)c2nc1CN1CCCCC1

InChI

InChI=1S/C20H30N4O/c1-4-24-18-9-8-16(21-20(25)12-15(2)3)13-17(18)22-19(24)14-23-10-6-5-7-11-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,25)

InChI Key

OHIQESGUBGGREE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09876368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-3.82

Polar Surface Area

38.021

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D305-1239 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D305-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1239?
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What is the minimum amount of D305-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1239
  • 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 D305-1239 available by request