D272-0689 Screening compound: 5-{[(adamantan-1-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D272-0689 Screening compound: 5-{[(adamantan-1-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D272-0689 Screening compound: 5-{[(adamantan-1-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0689
5-{[(adamantan-1-yl)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

D272-0689

Molecular Formula

C20H27N3O (C20 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(CNC1(CC(C2)C3)CC3CC2C1)c1)c1N1C)C1=O

InChI

InChI=1S/C20H27N3O/c1-22-17-4-3-13(8-18(17)23(2)19(22)24)12-21-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,14-16,21H,5-7,9-12H2,1-2H3

InChI Key

MXLONGWPSNJRFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434384

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

0.252

Water Solubility, LogSw

-3.81

Polar Surface Area

29.175

Acid Dissociation Constant (pKa)

26.12

Base Dissociation Constant (pKb)

10.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

D272-0689 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D272-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0689?
Check Price and Availability of D272-0689, 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 D272-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0689
  • 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 D272-0689 available by request