D389-0659 Screening compound: 1,7-dimethyl-3-(3-methylbutyl)-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0659 Screening compound: 1,7-dimethyl-3-(3-methylbutyl)-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0659 Screening compound: 1,7-dimethyl-3-(3-methylbutyl)-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0659
1,7-dimethyl-3-(3-methylbutyl)-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[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

D389-0659

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

1,7-dimethyl-3-(3-methylbutyl)-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

IUPAC name

17-dimethyl-3-(3-methylbutyl)-9-(3-methylphenyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CC(C)CCN(C(c(n1CC(C)C2)c(N3C)nc1N2c1cc(C)ccc1)=O)C3=O

InChI

InChI=1S/C22H29N5O2/c1-14(2)9-10-25-20(28)18-19(24(5)22(25)29)23-21-26(12-16(4)13-27(18)21)17-8-6-7-15(3)11-17/h6-8,11,14,16H,9-10,12-13H2,1-5H3/t16-/m0/s1

InChI Key

XVGALWZCJGQVTC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04186852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.54

Polar Surface Area

44.900

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D389-0659 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D389-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0659?
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What is the minimum amount of D389-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0659
  • 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 D389-0659 available by request