D300-0268 Screening compound: 5-[2-(4-{[(adamantan-1-yl)amino]methyl}phenoxy)-1-hydroxyethyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0268 Screening compound: 5-[2-(4-{[(adamantan-1-yl)amino]methyl}phenoxy)-1-hydroxyethyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0268 Screening compound: 5-[2-(4-{[(adamantan-1-yl)amino]methyl}phenoxy)-1-hydroxyethyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D300-0268
5-[2-(4-{[(adamantan-1-yl)amino]methyl}phenoxy)-1-hydroxyethyl]-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

D300-0268

Molecular Formula

C28H35N3O3 (C28 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(C(COc1ccc(CNC2(CC(C3)C4)CC4CC3C2)cc1)O)c1)c1N1C)C1=O

InChI

InChI=1S/C28H35N3O3/c1-30-24-8-5-22(12-25(24)31(2)27(30)33)26(32)17-34-23-6-3-18(4-7-23)16-29-28-13-19-9-20(14-28)11-21(10-19)15-28/h3-8,12,19-21,26,29,32H,9-11,13-17H2,1-2H3/t19?,20?,21?,26-,28?/m0/s1

InChI Key

OQKDRHZLAQFKGT-DRBBDDIUSA-N

MDL Number (MFCD)

MFCD08235331

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

461.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-4.28

Polar Surface Area

52.555

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.60

D300-0268 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D300-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0268?
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What is the minimum amount of D300-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0268
  • 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 D300-0268 available by request