D664-0036 Screening compound: 5-[(heptylamino)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0036 Screening compound: 5-[(heptylamino)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0036 Screening compound: 5-[(heptylamino)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0036
5-[(heptylamino)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

D664-0036

Molecular Formula

C17H27N3O (C17 H27 N3 O)

Compound Name

5-[(heptylamino)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[(heptylamino)methyl]-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CCCCCCCNCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C17H27N3O/c1-4-5-6-7-8-11-18-13-14-9-10-15-16(12-14)20(3)17(21)19(15)2/h9-10,12,18H,4-8,11,13H2,1-3H3

InChI Key

QJEDOHMGGUWYFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370202

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.338

Distribution Coefficient, logD

-0.100

Water Solubility, LogSw

-3.57

Polar Surface Area

29.802

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

D664-0036 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D664-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0036?
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What is the minimum amount of D664-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0036
  • 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 D664-0036 available by request