C276-0037 Screening compound: 7-(1-adamantylmethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine

C276-0037 Screening compound: 7-(1-adamantylmethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine
C276-0037 Screening compound: 7-(1-adamantylmethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0037
7-(1-adamantylmethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine

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

C276-0037

Molecular Formula

C20H25NO3 (C20 H25 NO3)

Compound Name

7-(1-adamantylmethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine

IUPAC name

12-[(adamantan-1-yl)methyl]-4610-trioxa-12-azatricyclo[7.4.0.0^{37}]trideca-13(7)8-triene

SMILES

C(C1(CC(C2)C3)CC3CC2C1)N(C1)COc2c1cc1OCOc1c2

InChI

InChI=1S/C20H25NO3/c1-13-2-15-3-14(1)7-20(6-13,8-15)10-21-9-16-4-18-19(24-12-23-18)5-17(16)22-11-21/h4-5,13-15H,1-3,6-12H2

InChI Key

YZYVHTKKJGXEKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.829

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-4.75

Polar Surface Area

29.972

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

C276-0037 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0037?
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What is the minimum amount of C276-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0037
  • 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 C276-0037 available by request