D666-0090 Screening compound: 5-({4-[(cycloheptylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D666-0090 Screening compound: 5-({4-[(cycloheptylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D666-0090 Screening compound: 5-({4-[(cycloheptylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D666-0090
5-({4-[(cycloheptylamino)methyl]-2-methoxyphenoxy}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

D666-0090

Molecular Formula

C25H33N3O3 (C25 H33 N3 O3)

Compound Name

5-({4-[(cycloheptylamino)methyl]-2-methoxyphenoxy}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-({4-[(cycloheptylamino)methyl]-2-methoxyphenoxy}methyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(COc(ccc(CNC1CCCCCC1)c1)c1OC)c1)c1N1C)C1=O

InChI

InChI=1S/C25H33N3O3/c1-27-21-12-10-19(14-22(21)28(2)25(27)29)17-31-23-13-11-18(15-24(23)30-3)16-26-20-8-6-4-5-7-9-20/h10-15,20,26H,4-9,16-17H2,1-3H3

InChI Key

OCKOPTJOUWDQMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16496249

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

0.625

Water Solubility, LogSw

-4.25

Polar Surface Area

44.481

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

10.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

D666-0090 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 D666-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D666-0090?
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What is the minimum amount of D666-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D666-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D666-0090
  • 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 D666-0090 available by request