8017-8460 Screening compound: methyl 5-(1-adamantyl)-2-[(benzylamino)methyl]-3-furoate

8017-8460 Screening compound: methyl 5-(1-adamantyl)-2-[(benzylamino)methyl]-3-furoate
8017-8460 Screening compound: methyl 5-(1-adamantyl)-2-[(benzylamino)methyl]-3-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8460
methyl 5-(1-adamantyl)-2-[(benzylamino)methyl]-3-furoate

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

8017-8460

Molecular Formula

C24H29NO3 (C24 H29 NO3)

Compound Name

methyl 5-(1-adamantyl)-2-[(benzylamino)methyl]-3-furoate

IUPAC name

methyl 5-(adamantan-1-yl)-2-[(benzylamino)methyl]furan-3-carboxylate

SMILES

COC(c1c(CNCc2ccccc2)oc(C2(CC(C3)C4)CC4CC3C2)c1)=O

InChI

InChI=1S/C24H29NO3/c1-27-23(26)20-10-22(24-11-17-7-18(12-24)9-19(8-17)13-24)28-21(20)15-25-14-16-5-3-2-4-6-16/h2-6,10,17-19,25H,7-9,11-15H2,1H3

InChI Key

UAUVYFUXSDLRQP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.502

Distribution Coefficient, logD

0.410

Water Solubility, LogSw

-5.65

Polar Surface Area

41.014

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

12.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.17

8017-8460 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-8460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8460?
Check Price and Availability of 8017-8460, 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 8017-8460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8460
  • 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 8017-8460 available by request