D300-0076 Screening compound: 5-[(4-{[(1-hydroxy-2-methylpropan-2-yl)amino]methyl}-2-methoxyphenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0076 Screening compound: 5-[(4-{[(1-hydroxy-2-methylpropan-2-yl)amino]methyl}-2-methoxyphenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0076 Screening compound: 5-[(4-{[(1-hydroxy-2-methylpropan-2-yl)amino]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 D300-0076
5-[(4-{[(1-hydroxy-2-methylpropan-2-yl)amino]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

D300-0076

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CO)NCc(cc1)cc(OC)c1OCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C22H29N3O4/c1-22(2,14-26)23-12-15-7-9-19(20(11-15)28-5)29-13-16-6-8-17-18(10-16)25(4)21(27)24(17)3/h6-11,23,26H,12-14H2,1-5H3

InChI Key

CIWYIRNMEGHWKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

-1.021

Water Solubility, LogSw

-2.73

Polar Surface Area

61.102

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D300-0076 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D300-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0076?
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What is the minimum amount of D300-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0076
  • 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 D300-0076 available by request