8012-8996 Screening compound: 7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8012-8996 Screening compound: 7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8012-8996 Screening compound: 7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)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 8012-8996
7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)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

8012-8996

Molecular Formula

C31H39N5O4 (C31 H39 N5 O4)

Compound Name

7-(adamantan-1-yl)-8-[2-(3,4-diethoxyphenyl)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-(34-diethoxyphenyl)ethyl]-13-dimethyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CCOc(ccc(CCn1c2nc(N(C)C(N(C)C3=O)=O)c3n2cc1C1(CC(C2)C3)CC3CC2C1)c1)c1OCC

InChI

InChI=1S/C31H39N5O4/c1-5-39-23-8-7-19(14-24(23)40-6-2)9-10-35-25(31-15-20-11-21(16-31)13-22(12-20)17-31)18-36-26-27(32-29(35)36)33(3)30(38)34(4)28(26)37/h7-8,14,18,20-22H,5-6,9-13,15-17H2,1-4H3

InChI Key

YOZDAHIPRRIQRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03285019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.735

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.40

Polar Surface Area

58.386

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.10

References: we are preparing a list of scientific research reports with 8012-8996 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8012-8996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8996
  • 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 8012-8996 available by request