8018-3890 Screening compound: (adamantan-1-yl)methyl 4-(oxolane-2-amido)benzoate

8018-3890 Screening compound: (adamantan-1-yl)methyl 4-(oxolane-2-amido)benzoate
8018-3890 Screening compound: (adamantan-1-yl)methyl 4-(oxolane-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3890
(adamantan-1-yl)methyl 4-(oxolane-2-amido)benzoate

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

8018-3890

Molecular Formula

C23H29NO4 (C23 H29 NO4)

Compound Name

(adamantan-1-yl)methyl 4-(oxolane-2-amido)benzoate

IUPAC name

(adamantan-1-yl)methyl 4-(oxolane-2-amido)benzoate

SMILES

O=C(C1OCCC1)Nc(cc1)ccc1C(OCC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C23H29NO4/c25-21(20-2-1-7-27-20)24-19-5-3-18(4-6-19)22(26)28-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h3-6,15-17,20H,1-2,7-14H2,(H,24,25)/t15?,16?,17?,20-,23?/m0/s1

InChI Key

JKODYKJGILYCON-SXYIGIQMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-4.98

Polar Surface Area

52.633

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

8018-3890 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-3890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3890?
Check Price and Availability of 8018-3890, 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 8018-3890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3890
  • 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 8018-3890 available by request