8013-3155 Screening compound: 7-(adamantan-1-yl)-8-[2-(adamantan-1-yloxy)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8013-3155 Screening compound: 7-(adamantan-1-yl)-8-[2-(adamantan-1-yloxy)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8013-3155 Screening compound: 7-(adamantan-1-yl)-8-[2-(adamantan-1-yloxy)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3155
7-(adamantan-1-yl)-8-[2-(adamantan-1-yloxy)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-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

8013-3155

Molecular Formula

C31H41N5O3 (C31 H41 N5 O3)

Compound Name

7-(adamantan-1-yl)-8-[2-(adamantan-1-yloxy)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

7-(adamantan-1-yl)-8-[2-(adamantan-1-yloxy)ethyl]-13-dimethyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2C)=O)n(cc(C3(CC(C4)C5)CC5CC4C3)n3CCOC4(CC(C5)C6)CC6CC5C4)c3n1)C2=O

InChI

InChI=1S/C31H41N5O3/c1-33-26-25(27(37)34(2)29(33)38)36-17-24(30-11-18-5-19(12-30)7-20(6-18)13-30)35(28(36)32-26)3-4-39-31-14-21-8-22(15-31)10-23(9-21)16-31/h17-23H,3-16H2,1-2H3

InChI Key

MKOKZLICBUXNGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.711

Distribution Coefficient, logD

6.711

Water Solubility, LogSw

-5.59

Polar Surface Area

50.226

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.40

8013-3155 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 8013-3155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3155?
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What is the minimum amount of 8013-3155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3155
  • 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 8013-3155 available by request