5639-0217 Screening compound: [(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]amino adamantane-1-carboxylate

5639-0217 Screening compound: [(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]amino adamantane-1-carboxylate
5639-0217 Screening compound: [(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]amino adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5639-0217
[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]amino adamantane-1-carboxylate

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

5639-0217

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]amino adamantane-1-carboxylate

IUPAC name

[(1E)-5-methoxy-23-dihydro-1H-inden-1-ylidene]amino adamantane-1-carboxylate

SMILES

COc(cc1)cc(CC2)c1/C2=N/OC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C21H25NO3/c1-24-17-3-4-18-16(9-17)2-5-19(18)22-25-20(23)21-10-13-6-14(11-21)8-15(7-13)12-21/h3-4,9,13-15H,2,5-8,10-12H2,1H3

InChI Key

CUFLJWWCWDOMKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-5.19

Polar Surface Area

39.425

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

5639-0217 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5639-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5639-0217?
Check Price and Availability of 5639-0217, 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 5639-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5639-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5639-0217
  • 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 5639-0217 available by request