D664-0028 Screening compound: 5-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0028 Screening compound: 5-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0028 Screening compound: 5-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0028
5-({[3-(1H-imidazol-1-yl)propyl]amino}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

D664-0028

Molecular Formula

C16H21N5O (C16 H21 N5 O)

Compound Name

5-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(CNCCCn1cncc1)c1)c1N1C)C1=O

InChI

InChI=1S/C16H21N5O/c1-19-14-5-4-13(10-15(14)20(2)16(19)22)11-17-6-3-8-21-9-7-18-12-21/h4-5,7,9-10,12,17H,3,6,8,11H2,1-2H3

InChI Key

ZPVWOPKAISOMAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08757314

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.352

Distribution Coefficient, logD

-3.052

Water Solubility, LogSw

-1.45

Polar Surface Area

42.331

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

10.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D664-0028 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 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 D664-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0028?
Check Price and Availability of D664-0028, 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 D664-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0028
  • 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 D664-0028 available by request