8018-2811 Screening compound: 7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8018-2811 Screening compound: 7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8018-2811 Screening compound: 7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2811
7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

8018-2811

Molecular Formula

C23H33N5O3 (C23 H33 N5 O3)

Compound Name

7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[2-(adamantan-1-yl)-2-oxoethyl]-8-(diethylamino)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(CC)c1nc(N(C)C(N(C)C2=O)=O)c2n1CC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C23H33N5O3/c1-5-27(6-2)21-24-19-18(20(30)26(4)22(31)25(19)3)28(21)13-17(29)23-10-14-7-15(11-23)9-16(8-14)12-23/h14-16H,5-13H2,1-4H3

InChI Key

UIDNIXHYBBGPBE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.55

Polar Surface Area

58.262

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.90

8018-2811 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-2811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2811?
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What is the minimum amount of 8018-2811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2811
  • 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 8018-2811 available by request