D300-0098 Screening compound: 5-[(2-methoxy-4-{[(prop-2-en-1-yl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0098 Screening compound: 5-[(2-methoxy-4-{[(prop-2-en-1-yl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0098 Screening compound: 5-[(2-methoxy-4-{[(prop-2-en-1-yl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D300-0098
5-[(2-methoxy-4-{[(prop-2-en-1-yl)amino]methyl}phenoxy)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

D300-0098

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

5-[(2-methoxy-4-{[(prop-2-en-1-yl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[(2-methoxy-4-{[(prop-2-en-1-yl)amino]methyl}phenoxy)methyl]-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-5-10-22-13-15-7-9-19(20(12-15)26-4)27-14-16-6-8-17-18(11-16)24(3)21(25)23(17)2/h5-9,11-12,22H,1,10,13-14H2,2-4H3

InChI Key

KZMYJKLOEWOPLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694194

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

-0.437

Water Solubility, LogSw

-2.91

Polar Surface Area

44.747

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

10.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D300-0098 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Targeted Diversity Library (40567 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 D300-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0098?
Check Price and Availability of D300-0098, 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 D300-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0098
  • 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 D300-0098 available by request