7599-1985 Screening compound: 7-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7599-1985 Screening compound: 7-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7599-1985 Screening compound: 7-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-1985
7-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]-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

7599-1985

Molecular Formula

C17H20N8O4 (C17 H20 N8 O4)

Compound Name

7-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[3-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)propyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCCn3c(C(N(C)C(N4C)=O)=O)c4nc3)cn1)C2=O

InChI

InChI=1S/C17H20N8O4/c1-20-12-10(14(26)22(3)16(20)28)24(8-18-12)6-5-7-25-9-19-13-11(25)15(27)23(4)17(29)21(13)2/h8-9H,5-7H2,1-4H3

InChI Key

DMZRIAKPKBNRAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03237256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.591

Distribution Coefficient, logD

-0.591

Water Solubility, LogSw

-0.42

Polar Surface Area

85.911

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

7599-1985 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7599-1985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-1985?
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What is the minimum amount of 7599-1985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-1985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-1985
  • 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 7599-1985 available by request