D090-0137 Screening compound: 8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D090-0137 Screening compound: 8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D090-0137 Screening compound: 8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0137
8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-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

D090-0137

Molecular Formula

C16H27N5O4 (C16 H27 N5 O4)

Compound Name

8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(CC)CC(COCc1nc(N(C)C(N(C)C2=O)=O)c2n1C)O

InChI

InChI=1S/C16H27N5O4/c1-6-21(7-2)8-11(22)9-25-10-12-17-14-13(18(12)3)15(23)20(5)16(24)19(14)4/h11,22H,6-10H2,1-5H3/t11-/m0/s1

InChI Key

AAYKKHPOQWVXNI-NSHDSACASA-N

MDL Number (MFCD)

MFCD02925561

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.361

Distribution Coefficient, logD

-1.161

Water Solubility, LogSw

-0.51

Polar Surface Area

73.249

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.80

D090-0137 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D090-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0137?
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What is the minimum amount of D090-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0137
  • 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 D090-0137 available by request